1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C36H39N11O2 — CID 136992732

IUPAC1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)NC1CCN(c2cc[nH]c3cnc4nccc4c23)C1)C1(C(=O)NC2CCN(c3cc[nH]c4cnc5nccc5c34)C2)CC1
InChIInChI=1S/C36H39N11O2/c1-21(2)47(35(49)44-23-8-16-46(20-23)29-6-14-38-27-18-42-33-25(31(27)29)4-12-40-33)36(9-10-36)34(48)43-22-7-15-45(19-22)28-5-13-37-26-17-41-32-24(30(26)28)3-11-39-32/h3-6,11-14,17-18,21-23,37-38H,7-10,15-16,19-20H2,1-2H3,(H,43,48)(H,44,49)
InChIKeyGVMGCLDFVMPLCF-UHFFFAOYSA-N
MW657.78 g/mol
LogP4.46
Rot. Bonds7

About 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 136992732) has the molecular formula C36H39N11O2 and a molecular weight of 657.78 g/mol. Its IUPAC name is 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID136992732
Molecular FormulaC36H39N11O2
Molecular Weight657.78 g/mol
Exact Mass657.33
IUPAC Name1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)NC1CCN(c2cc[nH]c3cnc4nccc4c23)C1)C1(C(=O)NC2CCN(c3cc[nH]c4cnc5nccc5c34)C2)CC1
InChIInChI=1S/C36H39N11O2/c1-21(2)47(35(49)44-23-8-16-46(20-23)29-6-14-38-27-18-42-33-25(31(27)29)4-12-40-33)36(9-10-36)34(48)43-22-7-15-45(19-22)28-5-13-37-26-17-41-32-24(30(26)28)3-11-39-32/h3-6,11-14,17-18,21-23,37-38H,7-10,15-16,19-20H2,1-2H3,(H,43,48)(H,44,49)
InChIKeyGVMGCLDFVMPLCF-UHFFFAOYSA-N
XLogP4.46
TPSA151.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.78
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137210975
2-cyclopropyl-N-[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]propanamide
CID 137121924
3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide
CID 157406909
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 159196593
[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate
CID 137210970
N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide
CID 136631260
[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl] N-cyclopropylcarbamate
CID 137211005
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 140686247
4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 113402381
3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide
CID 137037663

Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 136992732) is 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is CC(C)N(C(=O)NC1CCN(c2cc[nH]c3cnc4nccc4c23)C1)C1(C(=O)NC2CCN(c3cc[nH]c4cnc5nccc5c34)C2)CC1.
What is the InChIKey of 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is GVMGCLDFVMPLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N11O2/c1-21(2)47(35(49)44-23-8-16-46(20-23)29-6-14-38-27-18-42-33-25(31(27)29)4-12-40-33)36(9-10-36)34(48)43-22-7-15-45(19-22)28-5-13-37-26-17-41-32-24(30(26)28)3-11-39-32/h3-6,11-14,17-18,21-23,37-38H,7-10,15-16,19-20H2,1-2H3,(H,43,48)(H,44,49).
What are the key properties of 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 657.78 g/mol, XLogP of 4.46, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).