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

C22H26N6O2 — CID 118381418

IUPACN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C22H26N6O2/c1-14(15-8-4-2-5-9-15)24-22(30)25-19-12-18-17(13-23-19)20(28-27-18)26-21(29)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t14-/m1/s1
InChIKeyPPXZRVNTIVNVFD-CQSZACIVSA-N
MW406.49 g/mol
LogP4.36
Rot. Bonds5

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

N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 118381418) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide
PubChem CID118381418
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C22H26N6O2/c1-14(15-8-4-2-5-9-15)24-22(30)25-19-12-18-17(13-23-19)20(28-27-18)26-21(29)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t14-/m1/s1
InChIKeyPPXZRVNTIVNVFD-CQSZACIVSA-N
XLogP4.36
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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 N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide (CID 118381418) is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCCC3)c2cn1)c1ccccc1.
What is the InChIKey of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is PPXZRVNTIVNVFD-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(15-8-4-2-5-9-15)24-22(30)25-19-12-18-17(13-23-19)20(28-27-18)26-21(29)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t14-/m1/s1.
What are the key properties of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide?
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.36, 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]cyclohexanecarboxamide is sourced from PubChem (CID 118381418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).