N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine

C21H24N6S — CID 58364778

IUPACN-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)sn1
InChIInChI=1S/C21H24N6S/c1-14-10-20(28-25-14)24-19-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(19)21)16-8-9-26(2)13-16/h8-13,15,24H,3-7H2,1-2H3
InChIKeyQBMCCOJZACTCSQ-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.29
Rot. Bonds4

About N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine

N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 58364778) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID58364778
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC NameN-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)sn1
InChIInChI=1S/C21H24N6S/c1-14-10-20(28-25-14)24-19-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(19)21)16-8-9-26(2)13-16/h8-13,15,24H,3-7H2,1-2H3
InChIKeyQBMCCOJZACTCSQ-UHFFFAOYSA-N
XLogP5.29
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
Aurora inhibitor 1
CID 51003133
Adenosine receptor antagonist 3
CID 146268692
US9670208, Example 115
CID 118216704
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4885770
N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine
CID 4888039
5-tert-butyl-N-[3-(1H-imidazol-1-yl)propyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4890044
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
CID 11566279
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11724991
3-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)isothiazol-5-amine
CID 16046104

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine (CID 58364778) is N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)sn1.
What is the InChIKey of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is QBMCCOJZACTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S/c1-14-10-20(28-25-14)24-19-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(19)21)16-8-9-26(2)13-16/h8-13,15,24H,3-7H2,1-2H3.
What are the key properties of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 392.53 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58364778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).