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

C23H28N6O2 — CID 118380788

IUPAC2-cyclohexyl-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)CC3CCCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C23H28N6O2/c1-15(17-10-6-3-7-11-17)25-23(31)26-20-13-19-18(14-24-20)22(29-28-19)27-21(30)12-16-8-4-2-5-9-16/h3,6-7,10-11,13-16H,2,4-5,8-9,12H2,1H3,(H2,24,25,26,31)(H2,27,28,29,30)/t15-/m1/s1
InChIKeyMPIYVHBTOUMLKC-OAHLLOKOSA-N
MW420.52 g/mol
LogP4.75
Rot. Bonds6

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

2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 118380788) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID118380788
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-cyclohexyl-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)CC3CCCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C23H28N6O2/c1-15(17-10-6-3-7-11-17)25-23(31)26-20-13-19-18(14-24-20)22(29-28-19)27-21(30)12-16-8-4-2-5-9-16/h3,6-7,10-11,13-16H,2,4-5,8-9,12H2,1H3,(H2,24,25,26,31)(H2,27,28,29,30)/t15-/m1/s1
InChIKeyMPIYVHBTOUMLKC-OAHLLOKOSA-N
XLogP4.75
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 118380788) is 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-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)CC3CCCCC3)c2cn1)c1ccccc1.
What is the InChIKey of 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is MPIYVHBTOUMLKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15(17-10-6-3-7-11-17)25-23(31)26-20-13-19-18(14-24-20)22(29-28-19)27-21(30)12-16-8-4-2-5-9-16/h3,6-7,10-11,13-16H,2,4-5,8-9,12H2,1H3,(H2,24,25,26,31)(H2,27,28,29,30)/t15-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 118380788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).