N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide

C26H28N6O — CID 10203646

IUPACN-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(=O)NCCN(C)C)cc24)CCC3)n1
InChIInChI=1S/C26H28N6O/c1-17-6-4-7-22(29-17)25-24(23-8-5-14-32(23)30-25)19-11-12-27-21-10-9-18(16-20(19)21)26(33)28-13-15-31(2)3/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3,(H,28,33)
InChIKeyWXSFBBIOPVGEJK-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide

N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide (PubChem CID 10203646) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
PubChem CID10203646
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(=O)NCCN(C)C)cc24)CCC3)n1
InChIInChI=1S/C26H28N6O/c1-17-6-4-7-22(29-17)25-24(23-8-5-14-32(23)30-25)19-11-12-27-21-10-9-18(16-20(19)21)26(33)28-13-15-31(2)3/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3,(H,28,33)
InChIKeyWXSFBBIOPVGEJK-UHFFFAOYSA-N
XLogP3.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide (CID 10203646) is N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide is Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(=O)NCCN(C)C)cc24)CCC3)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide?
The InChIKey is WXSFBBIOPVGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-17-6-4-7-22(29-17)25-24(23-8-5-14-32(23)30-25)19-11-12-27-21-10-9-18(16-20(19)21)26(33)28-13-15-31(2)3/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3,(H,28,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide?
N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 10203646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).