2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

C22H26N6O2 — CID 118380833

IUPAC2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CC3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C22H26N6O2/c1-14(16-9-3-2-4-10-16)24-22(30)25-19-12-18-17(13-23-19)21(28-27-18)26-20(29)11-15-7-5-6-8-15/h2-4,9-10,12-15H,5-8,11H2,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t14-/m1/s1
InChIKeyNRSDPVROEQUOME-CQSZACIVSA-N
MW406.49 g/mol
LogP4.36
Rot. Bonds6

About 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 118380833) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID118380833
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CC3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C22H26N6O2/c1-14(16-9-3-2-4-10-16)24-22(30)25-19-12-18-17(13-23-19)21(28-27-18)26-20(29)11-15-7-5-6-8-15/h2-4,9-10,12-15H,5-8,11H2,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t14-/m1/s1
InChIKeyNRSDPVROEQUOME-CQSZACIVSA-N
XLogP4.36
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 118380833) is 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CC3CCCC3)c2cn1)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is NRSDPVROEQUOME-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(16-9-3-2-4-10-16)24-22(30)25-19-12-18-17(13-23-19)21(28-27-18)26-20(29)11-15-7-5-6-8-15/h2-4,9-10,12-15H,5-8,11H2,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t14-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 118380833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).