N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide

C26H25N5O4 — CID 42324877

IUPACN-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cc2)c1)c1ccoc1
InChIInChI=1S/C26H25N5O4/c32-25(20-10-13-34-17-20)29-22-14-28-31(15-22)23-8-6-19(7-9-23)26(33)30-12-3-5-24(16-30)35-18-21-4-1-2-11-27-21/h1-2,4,6-11,13-15,17,24H,3,5,12,16,18H2,(H,29,32)/t24-/m0/s1
InChIKeyNDIYPOUZRYMQPY-DEOSSOPVSA-N
MW471.52 g/mol
LogP3.93
Rot. Bonds7

About N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide

N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide (PubChem CID 42324877) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide
PubChem CID42324877
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cc2)c1)c1ccoc1
InChIInChI=1S/C26H25N5O4/c32-25(20-10-13-34-17-20)29-22-14-28-31(15-22)23-8-6-19(7-9-23)26(33)30-12-3-5-24(16-30)35-18-21-4-1-2-11-27-21/h1-2,4,6-11,13-15,17,24H,3,5,12,16,18H2,(H,29,32)/t24-/m0/s1
InChIKeyNDIYPOUZRYMQPY-DEOSSOPVSA-N
XLogP3.93
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide (CID 42324877) is N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide is O=C(Nc1cnn(-c2ccc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cc2)c1)c1ccoc1.
What is the InChIKey of N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
The InChIKey is NDIYPOUZRYMQPY-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25N5O4/c32-25(20-10-13-34-17-20)29-22-14-28-31(15-22)23-8-6-19(7-9-23)26(33)30-12-3-5-24(16-30)35-18-21-4-1-2-11-27-21/h1-2,4,6-11,13-15,17,24H,3,5,12,16,18H2,(H,29,32)/t24-/m0/s1.
What are the key properties of N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide is sourced from PubChem (CID 42324877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).