N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C23H29N7O3 — CID 162362211

IUPACN-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(O)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C23H29N7O3/c1-29-17(11-12-25-29)22(32)28-20(15-7-5-3-4-6-8-15)23(33)27-19-10-9-16(13-24-19)21-18(31)14-26-30(21)2/h9-15,20,31H,3-8H2,1-2H3,(H,28,32)(H,24,27,33)/t20-/m0/s1
InChIKeyAVWOXCLRRWLYKN-FQEVSTJZSA-N
MW451.53 g/mol
LogP2.63
Rot. Bonds6

About N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362211) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362211
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(O)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C23H29N7O3/c1-29-17(11-12-25-29)22(32)28-20(15-7-5-3-4-6-8-15)23(33)27-19-10-9-16(13-24-19)21-18(31)14-26-30(21)2/h9-15,20,31H,3-8H2,1-2H3,(H,28,32)(H,24,27,33)/t20-/m0/s1
InChIKeyAVWOXCLRRWLYKN-FQEVSTJZSA-N
XLogP2.63
TPSA126.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362211) is N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(O)cnn2C)cn1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AVWOXCLRRWLYKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-29-17(11-12-25-29)22(32)28-20(15-7-5-3-4-6-8-15)23(33)27-19-10-9-16(13-24-19)21-18(31)14-26-30(21)2/h9-15,20,31H,3-8H2,1-2H3,(H,28,32)(H,24,27,33)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-[[5-(4-hydroxy-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).