N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole — IUPAC name, SMILES, InChIKey & properties

Name: N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole

N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole (PubChem CID 157154387) has the molecular formula C98H119N21O6 and a molecular weight of 1687.17 g/mol. Its IUPAC name is N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole.

Molecular Properties

Compound Name	N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole
PubChem CID	157154387
Molecular Formula	C98H119N21O6
Molecular Weight	1687.17 g/mol
Exact Mass	1685.97
IUPAC Name	N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole
SMILES	C1=CCN=C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccccn4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(C)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(C)cc3)nn2CC2CC2)C1.COCCC(=O)NCc1cccc(-c2ccc(Nc3nn(CC4CC4)c4c3CN(C(C)=O)CC4)cc2)c1.Cn1cccn1
InChI	InChI=1S/C29H35N5O3.C23H25N5O.2C19H24N4O.C4H6N2.C4H5N/c1-20(35)33-14-12-27-26(19-33)29(32-34(27)18-21-6-7-21)31-25-10-8-23(9-11-25)24-5-3-4-22(16-24)17-30-28(36)13-15-37-2;1-16(29)27-13-11-22-20(15-27)23(26-28(22)14-17-5-6-17)25-19-9-7-18(8-10-19)21-4-2-3-12-24-21;21-13-3-7-16(8-4-13)20-19-17-12-22(14(2)24)10-9-18(17)23(21-19)11-15-5-6-15;1-6-4-2-3-5-6;1-2-4-5-3-1/h3-5,8-11,16,21H,6-7,12-15,17-19H2,1-2H3,(H,30,36)(H,31,32);2-4,7-10,12,17H,5-6,11,13-15H2,1H3,(H,25,26);23-4,7-8,15H,5-6,9-12H2,1-2H3,(H,20,21);2-4H,1H3;1-3H,4H2
InChIKey	ALQGALSKZZNMFF-UHFFFAOYSA-N
XLogP	15.81
TPSA	282.04 Å²
H-Bond Donors	5
H-Bond Acceptors	22
Rotatable Bonds	23
Heavy Atoms	125
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1687.17
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Analyze N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole?

The IUPAC name of N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole (CID 157154387) is N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole.

What is the SMILES notation for N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole?

The canonical SMILES for N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole is C1=CCN=C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccccn4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(C)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(C)cc3)nn2CC2CC2)C1.COCCC(=O)NCc1cccc(-c2ccc(Nc3nn(CC4CC4)c4c3CN(C(C)=O)CC4)cc2)c1.Cn1cccn1.

What is the InChIKey of N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole?

The InChIKey is ALQGALSKZZNMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3.C23H25N5O.2C19H24N4O.C4H6N2.C4H5N/c1-20(35)33-14-12-27-26(19-33)29(32-34(27)18-21-6-7-21)31-25-10-8-23(9-11-25)24-5-3-4-22(16-24)17-30-28(36)13-15-37-2;1-16(29)27-13-11-22-20(15-27)23(26-28(22)14-17-5-6-17)25-19-9-7-18(8-10-19)21-4-2-3-12-24-21;2*1-13-3-7-16(8-4-13)20-19-17-12-22(14(2)24)10-9-18(17)23(21-19)11-15-5-6-15;1-6-4-2-3-5-6;1-2-4-5-3-1/h3-5,8-11,16,21H,6-7,12-15,17-19H2,1-2H3,(H,30,36)(H,31,32);2-4,7-10,12,17H,5-6,11,13-15H2,1H3,(H,25,26);2*3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,20,21);2-4H,1H3;1-3H,4H2.

What are the key properties of N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole?

Where does this data come from?

All data for N-[[3-[4-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]phenyl]methyl]-3-methoxypropanamide;bis(1-[1-(cyclopropylmethyl)-3-(4-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone);1-[1-(cyclopropylmethyl)-3-(4-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-methylpyrazole;2H-pyrrole is sourced from PubChem (CID 157154387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).