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

C21H24N6O2 — CID 118381029

IUPACN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C21H24N6O2/c1-13(14-7-3-2-4-8-14)23-21(29)24-18-11-17-16(12-22-18)19(27-26-17)25-20(28)15-9-5-6-10-15/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,22,23,24,29)(H2,25,26,27,28)/t13-/m1/s1
InChIKeyXUTTUWJYMYBNDV-CYBMUJFWSA-N
MW392.46 g/mol
LogP3.97
Rot. Bonds5

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

N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide (PubChem CID 118381029) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide
PubChem CID118381029
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C21H24N6O2/c1-13(14-7-3-2-4-8-14)23-21(29)24-18-11-17-16(12-22-18)19(27-26-17)25-20(28)15-9-5-6-10-15/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,22,23,24,29)(H2,25,26,27,28)/t13-/m1/s1
InChIKeyXUTTUWJYMYBNDV-CYBMUJFWSA-N
XLogP3.97
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide (CID 118381029) is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCC3)c2cn1)c1ccccc1.
What is the InChIKey of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide?
The InChIKey is XUTTUWJYMYBNDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(14-7-3-2-4-8-14)23-21(29)24-18-11-17-16(12-22-18)19(27-26-17)25-20(28)15-9-5-6-10-15/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,22,23,24,29)(H2,25,26,27,28)/t13-/m1/s1.
What are the key properties of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide?
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 118381029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).