N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide

C23H31N5O3 — CID 50849110

IUPACN-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C23H31N5O3/c29-22(26-8-1-2-9-26)20-16-25-28-12-7-18(14-21(20)28)17-5-10-27(11-6-17)23(30)24-15-19-4-3-13-31-19/h7,12,14,16-17,19H,1-6,8-11,13,15H2,(H,24,30)
InChIKeyGQSZORRDSWBAEU-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.64
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide

N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (PubChem CID 50849110) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
PubChem CID50849110
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C23H31N5O3/c29-22(26-8-1-2-9-26)20-16-25-28-12-7-18(14-21(20)28)17-5-10-27(11-6-17)23(30)24-15-19-4-3-13-31-19/h7,12,14,16-17,19H,1-6,8-11,13,15H2,(H,24,30)
InChIKeyGQSZORRDSWBAEU-UHFFFAOYSA-N
XLogP2.64
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (CID 50849110) is N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is O=C(NCC1CCCO1)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The InChIKey is GQSZORRDSWBAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-22(26-8-1-2-9-26)20-16-25-28-12-7-18(14-21(20)28)17-5-10-27(11-6-17)23(30)24-15-19-4-3-13-31-19/h7,12,14,16-17,19H,1-6,8-11,13,15H2,(H,24,30).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50849110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).