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

C33H42FN7O3S — CID 156829568

IUPACN-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1c(-c2cc3ccc(N4CCC(N(C)S(C)(=O)=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H42FN7O3S/c1-21-29-9-7-24(33(42)39-19-25(34)15-26(35)20-39)18-41(29)36-32(21)31-14-23-6-8-28(16-30(23)40(31)17-22-4-5-22)38-12-10-27(11-13-38)37(2)45(3,43)44/h6-9,14,16,18,22,25-27H,4-5,10-13,15,17,19-20,35H2,1-3H3/t25-,26-/m1/s1
InChIKeyLDLZHURWZUOHPH-CLJLJLNGSA-N
MW635.81 g/mol
LogP4.05
Rot. Bonds7

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

N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 156829568) has the molecular formula C33H42FN7O3S and a molecular weight of 635.81 g/mol. Its IUPAC name is N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID156829568
Molecular FormulaC33H42FN7O3S
Molecular Weight635.81 g/mol
Exact Mass635.31
IUPAC NameN-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1c(-c2cc3ccc(N4CCC(N(C)S(C)(=O)=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H42FN7O3S/c1-21-29-9-7-24(33(42)39-19-25(34)15-26(35)20-39)18-41(29)36-32(21)31-14-23-6-8-28(16-30(23)40(31)17-22-4-5-22)38-12-10-27(11-13-38)37(2)45(3,43)44/h6-9,14,16,18,22,25-27H,4-5,10-13,15,17,19-20,35H2,1-3H3/t25-,26-/m1/s1
InChIKeyLDLZHURWZUOHPH-CLJLJLNGSA-N
XLogP4.05
TPSA109.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate
CID 156829499
methyl N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]-N-methylcarbamate
CID 156829830
5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one
CID 166709767
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 156828898
6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one
CID 166709781
[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-fluoro-5-iminopiperidin-1-yl]methanone
CID 156828791
5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156829633
[3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 166709518
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[(3R)-3-hydroxypiperidin-1-yl]pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156829592
[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(3-hydroxycyclobutyl)methanone
CID 156829307
tert-butyl N-[(3R,5R)-1-[2-[6-acetyl-1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829433
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[1-(cyclopropylmethyl)-2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxybenzimidazol-5-yl]methanone
CID 166017508

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 156829568) is N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide is Cc1c(-c2cc3ccc(N4CCC(N(C)S(C)(=O)=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is LDLZHURWZUOHPH-CLJLJLNGSA-N. The full InChI is InChI=1S/C33H42FN7O3S/c1-21-29-9-7-24(33(42)39-19-25(34)15-26(35)20-39)18-41(29)36-32(21)31-14-23-6-8-28(16-30(23)40(31)17-22-4-5-22)38-12-10-27(11-13-38)37(2)45(3,43)44/h6-9,14,16,18,22,25-27H,4-5,10-13,15,17,19-20,35H2,1-3H3/t25-,26-/m1/s1.
What are the key properties of N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 635.81 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 156829568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).