(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide

C26H26FN7O3 — CID 163294656

IUPAC(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4cccc5ccnn45)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C26H26FN7O3/c1-37-23-11-19(20(27)15-28-23)21-12-22(32-31-21)25(36)33-10-6-16(13-26(33)7-8-26)24(35)29-14-18-4-2-3-17-5-9-30-34(17)18/h2-5,9,11-12,15-16H,6-8,10,13-14H2,1H3,(H,29,35)(H,31,32)/t16-/m0/s1
InChIKeyZMPYMIHXKCOZQU-INIZCTEOSA-N
MW503.54 g/mol
LogP2.97
Rot. Bonds6

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163294656) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID163294656
Molecular FormulaC26H26FN7O3
Molecular Weight503.54 g/mol
Exact Mass503.21
IUPAC Name(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4cccc5ccnn45)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C26H26FN7O3/c1-37-23-11-19(20(27)15-28-23)21-12-22(32-31-21)25(36)33-10-6-16(13-26(33)7-8-26)24(35)29-14-18-4-2-3-17-5-9-30-34(17)18/h2-5,9,11-12,15-16H,6-8,10,13-14H2,1H3,(H,29,35)(H,31,32)/t16-/m0/s1
InChIKeyZMPYMIHXKCOZQU-INIZCTEOSA-N
XLogP2.97
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide with MolForge

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Related Compounds

CID 56968001
CID 56968001
Teplinovivint
CID 89451003
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
sodium 5-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89767330
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777934
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(5-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777949
(R)-4-(1-(2-amino-2-oxoacetyl)-3,3-dimethylpiperidin-4-ylamino)-6-(6-methoxypyridin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291415
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454
6-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431455
N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46883829
N-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57403072
5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127034979

Frequently Asked Questions

What is the IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide (CID 163294656) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4cccc5ccnn45)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is ZMPYMIHXKCOZQU-INIZCTEOSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-37-23-11-19(20(27)15-28-23)21-12-22(32-31-21)25(36)33-10-6-16(13-26(33)7-8-26)24(35)29-14-18-4-2-3-17-5-9-30-34(17)18/h2-5,9,11-12,15-16H,6-8,10,13-14H2,1H3,(H,29,35)(H,31,32)/t16-/m0/s1.
What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide?
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 503.54 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163294656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).