N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide

C22H29N7O3S — CID 137210975

IUPACN-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CN2CCN(c3cc[nH]c4cnc5nccc5c34)CC2)C1
InChIInChI=1S/C22H29N7O3S/c1-33(31,32)26-16-3-2-8-29(14-16)20(30)15-27-9-11-28(12-10-27)19-5-7-23-18-13-25-22-17(21(18)19)4-6-24-22/h4-7,13,16,23,26H,2-3,8-12,14-15H2,1H3
InChIKeyBFNAVCBHGPZEQA-UHFFFAOYSA-N
MW471.59 g/mol
LogP0.77
Rot. Bonds5

About N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 137210975) has the molecular formula C22H29N7O3S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID137210975
Molecular FormulaC22H29N7O3S
Molecular Weight471.59 g/mol
Exact Mass471.21
IUPAC NameN-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CN2CCN(c3cc[nH]c4cnc5nccc5c34)CC2)C1
InChIInChI=1S/C22H29N7O3S/c1-33(31,32)26-16-3-2-8-29(14-16)20(30)15-27-9-11-28(12-10-27)19-5-7-23-18-13-25-22-17(21(18)19)4-6-24-22/h4-7,13,16,23,26H,2-3,8-12,14-15H2,1H3
InChIKeyBFNAVCBHGPZEQA-UHFFFAOYSA-N
XLogP0.77
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
2,4-bis[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-1,5-bis[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]pentan-3-one
CID 174712373
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-[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
1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
CID 137124785
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
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 129323229

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide (CID 137210975) is N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)CN2CCN(c3cc[nH]c4cnc5nccc5c34)CC2)C1.
What is the InChIKey of N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is BFNAVCBHGPZEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3S/c1-33(31,32)26-16-3-2-8-29(14-16)20(30)15-27-9-11-28(12-10-27)19-5-7-23-18-13-25-22-17(21(18)19)4-6-24-22/h4-7,13,16,23,26H,2-3,8-12,14-15H2,1H3.
What are the key properties of N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 471.59 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137210975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).