N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H29F2N5O2 — CID 146408620

IUPACN-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)[C@@H]3CC3(F)F)CC4)n2n1)C1CC1
InChIInChI=1S/C24H29F2N5O2/c25-24(26)14-17(24)21(33)30-12-10-23(11-13-30)8-6-15(7-9-23)18-2-1-3-19-27-22(29-31(18)19)28-20(32)16-4-5-16/h1-3,15-17H,4-14H2,(H,28,29,32)/t17-/m0/s1
InChIKeyIBRBLXZHXVFSPN-KRWDZBQOSA-N
MW457.53 g/mol
LogP4.00
Rot. Bonds4

About N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408620) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408620
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC NameN-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)[C@@H]3CC3(F)F)CC4)n2n1)C1CC1
InChIInChI=1S/C24H29F2N5O2/c25-24(26)14-17(24)21(33)30-12-10-23(11-13-30)8-6-15(7-9-23)18-2-1-3-19-27-22(29-31(18)19)28-20(32)16-4-5-16/h1-3,15-17H,4-14H2,(H,28,29,32)/t17-/m0/s1
InChIKeyIBRBLXZHXVFSPN-KRWDZBQOSA-N
XLogP4.00
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408620) is N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)[C@@H]3CC3(F)F)CC4)n2n1)C1CC1.
What is the InChIKey of N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IBRBLXZHXVFSPN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c25-24(26)14-17(24)21(33)30-12-10-23(11-13-30)8-6-15(7-9-23)18-2-1-3-19-27-22(29-31(18)19)28-20(32)16-4-5-16/h1-3,15-17H,4-14H2,(H,28,29,32)/t17-/m0/s1.
What are the key properties of N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).