N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide

C34H37FN6O3S — CID 156829523

IUPACN-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide
SMILESCc1c(-c2cc3ccc(-c4ccc(CNS(C)(=O)=O)cc4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C34H37FN6O3S/c1-21-30-12-11-27(34(42)39-19-28(35)15-29(36)20-39)18-41(30)38-33(21)32-14-26-10-9-25(13-31(26)40(32)17-23-3-4-23)24-7-5-22(6-8-24)16-37-45(2,43)44/h5-14,18,23,28-29,37H,3-4,15-17,19-20,36H2,1-2H3/t28-,29-/m1/s1
InChIKeyXGMNWIBBFHDNRS-FQLXRVMXSA-N
MW628.77 g/mol
LogP4.90
Rot. Bonds8

About N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide

N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide (PubChem CID 156829523) has the molecular formula C34H37FN6O3S and a molecular weight of 628.77 g/mol. Its IUPAC name is N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide
PubChem CID156829523
Molecular FormulaC34H37FN6O3S
Molecular Weight628.77 g/mol
Exact Mass628.26
IUPAC NameN-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide
SMILESCc1c(-c2cc3ccc(-c4ccc(CNS(C)(=O)=O)cc4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C34H37FN6O3S/c1-21-30-12-11-27(34(42)39-19-28(35)15-29(36)20-39)18-41(30)38-33(21)32-14-26-10-9-25(13-31(26)40(32)17-23-3-4-23)24-7-5-22(6-8-24)16-37-45(2,43)44/h5-14,18,23,28-29,37H,3-4,15-17,19-20,36H2,1-2H3/t28-,29-/m1/s1
InChIKeyXGMNWIBBFHDNRS-FQLXRVMXSA-N
XLogP4.90
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.77
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283371
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 147837559
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)ethanesulfonamide
CID 148928582
N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
CID 155461111
(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53245863
(4R)-N-(1-benzylpyrazol-4-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53247684
(R)-1-benzyl-N-(9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3'',2'':4,5]pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 138805970
2-[2-(1H-pyrazol-1-yl)benzoyl]-1-(2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190497
2-[4-(1H-pyrazol-1-yl)benzoyl]-1-(2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16192095
1-[1-(3-cyano-3-methylbutanoyl)piperidin-4-yl]-N-[3-methyl-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide
CID 155552797
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-methyl-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide
CID 155554126

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide (CID 156829523) is N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide is Cc1c(-c2cc3ccc(-c4ccc(CNS(C)(=O)=O)cc4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is XGMNWIBBFHDNRS-FQLXRVMXSA-N. The full InChI is InChI=1S/C34H37FN6O3S/c1-21-30-12-11-27(34(42)39-19-28(35)15-29(36)20-39)18-41(30)38-33(21)32-14-26-10-9-25(13-31(26)40(32)17-23-3-4-23)24-7-5-22(6-8-24)16-37-45(2,43)44/h5-14,18,23,28-29,37H,3-4,15-17,19-20,36H2,1-2H3/t28-,29-/m1/s1.
What are the key properties of N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 628.77 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 156829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).