N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C25H35N5O2 — CID 95811609

IUPACN-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C25H35N5O2/c1-16-20(12-13-24(31)27-19-7-4-3-5-8-19)17(2)30-23(26-16)15-21(28-30)22-9-6-14-29(22)25(32)18-10-11-18/h15,18-19,22H,3-14H2,1-2H3,(H,27,31)/t22-/m1/s1
InChIKeyVBYUJCLLMMHYMQ-JOCHJYFZSA-N
MW437.59 g/mol
LogP3.80
Rot. Bonds6

About N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 95811609) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID95811609
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C25H35N5O2/c1-16-20(12-13-24(31)27-19-7-4-3-5-8-19)17(2)30-23(26-16)15-21(28-30)22-9-6-14-29(22)25(32)18-10-11-18/h15,18-19,22H,3-14H2,1-2H3,(H,27,31)/t22-/m1/s1
InChIKeyVBYUJCLLMMHYMQ-JOCHJYFZSA-N
XLogP3.80
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
CID 124970331
N-cyclopentyl-3-[5,7-dimethyl-2-[(2R)-1-[(2S)-2-methylbutanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125011811
N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125024669
3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 125002508
N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110250298
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46450657
N-cyclopentyl-3-[2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110087985
N-cyclopropyl-3-[2-[(2R)-1-[(2-fluorophenyl)methyl]piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
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N-cyclopentyl-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
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CID 110087946
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopentylpropanamide
CID 20863074

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 95811609) is N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is VBYUJCLLMMHYMQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-16-20(12-13-24(31)27-19-7-4-3-5-8-19)17(2)30-23(26-16)15-21(28-30)22-9-6-14-29(22)25(32)18-10-11-18/h15,18-19,22H,3-14H2,1-2H3,(H,27,31)/t22-/m1/s1.
What are the key properties of N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 437.59 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 95811609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).