N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

C24H29ClN6O3 — CID 162362500

IUPACN-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C24H29ClN6O3/c1-3-19-17(14-34-30-19)23(32)29-21(15-8-6-4-5-7-9-15)24(33)28-20-11-10-16(12-26-20)22-18(25)13-27-31(22)2/h10-15,21H,3-9H2,1-2H3,(H,29,32)(H,26,28,33)/t21-/m0/s1
InChIKeyYWMGPPMMFFATHR-NRFANRHFSA-N
MW484.99 g/mol
LogP4.39
Rot. Bonds7

About N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362500) has the molecular formula C24H29ClN6O3 and a molecular weight of 484.99 g/mol. Its IUPAC name is N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
PubChem CID162362500
Molecular FormulaC24H29ClN6O3
Molecular Weight484.99 g/mol
Exact Mass484.20
IUPAC NameN-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C24H29ClN6O3/c1-3-19-17(14-34-30-19)23(32)29-21(15-8-6-4-5-7-9-15)24(33)28-20-11-10-16(12-26-20)22-18(25)13-27-31(22)2/h10-15,21H,3-9H2,1-2H3,(H,29,32)(H,26,28,33)/t21-/m0/s1
InChIKeyYWMGPPMMFFATHR-NRFANRHFSA-N
XLogP4.39
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362500) is N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YWMGPPMMFFATHR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-3-19-17(14-34-30-19)23(32)29-21(15-8-6-4-5-7-9-15)24(33)28-20-11-10-16(12-26-20)22-18(25)13-27-31(22)2/h10-15,21H,3-9H2,1-2H3,(H,29,32)(H,26,28,33)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 484.99 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).