2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide

C25H26N6O2 — CID 126644775

IUPAC2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3cccc4cccnc34)c2)cn1
InChIInChI=1S/C25H26N6O2/c1-31-14-19(13-29-31)18-11-20(24(26)28-12-18)25(32)30-21-8-3-9-22(21)33-15-17-6-2-5-16-7-4-10-27-23(16)17/h2,4-7,10-14,21-22H,3,8-9,15H2,1H3,(H2,26,28)(H,30,32)/t21-,22-/m0/s1
InChIKeyYKNIFWRCNVOETK-VXKWHMMOSA-N
MW442.52 g/mol
LogP3.48
Rot. Bonds6

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide (PubChem CID 126644775) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
PubChem CID126644775
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3cccc4cccnc34)c2)cn1
InChIInChI=1S/C25H26N6O2/c1-31-14-19(13-29-31)18-11-20(24(26)28-12-18)25(32)30-21-8-3-9-22(21)33-15-17-6-2-5-16-7-4-10-27-23(16)17/h2,4-7,10-14,21-22H,3,8-9,15H2,1H3,(H2,26,28)(H,30,32)/t21-,22-/m0/s1
InChIKeyYKNIFWRCNVOETK-VXKWHMMOSA-N
XLogP3.48
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide (CID 126644775) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3cccc4cccnc34)c2)cn1.
What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is YKNIFWRCNVOETK-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-31-14-19(13-29-31)18-11-20(24(26)28-12-18)25(32)30-21-8-3-9-22(21)33-15-17-6-2-5-16-7-4-10-27-23(16)17/h2,4-7,10-14,21-22H,3,8-9,15H2,1H3,(H2,26,28)(H,30,32)/t21-,22-/m0/s1.
What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide?
2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(quinolin-8-ylmethoxy)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126644775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).