N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H28N6O — CID 118644374

IUPACN-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC1CC(N)CC(c2ccncc2NC(=O)c2ccn3ncc(C(C)C)c3n2)C1
InChIInChI=1S/C22H28N6O/c1-13(2)18-11-25-28-7-5-19(26-21(18)28)22(29)27-20-12-24-6-4-17(20)15-8-14(3)9-16(23)10-15/h4-7,11-16H,8-10,23H2,1-3H3,(H,27,29)
InChIKeySFPWQRNDHZDANZ-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.73
Rot. Bonds4

About N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 118644374) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID118644374
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC1CC(N)CC(c2ccncc2NC(=O)c2ccn3ncc(C(C)C)c3n2)C1
InChIInChI=1S/C22H28N6O/c1-13(2)18-11-25-28-7-5-19(26-21(18)28)22(29)27-20-12-24-6-4-17(20)15-8-14(3)9-16(23)10-15/h4-7,11-16H,8-10,23H2,1-3H3,(H,27,29)
InChIKeySFPWQRNDHZDANZ-UHFFFAOYSA-N
XLogP3.73
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 118644374) is N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC1CC(N)CC(c2ccncc2NC(=O)c2ccn3ncc(C(C)C)c3n2)C1.
What is the InChIKey of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is SFPWQRNDHZDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-13(2)18-11-25-28-7-5-19(26-21(18)28)22(29)27-20-12-24-6-4-17(20)15-8-14(3)9-16(23)10-15/h4-7,11-16H,8-10,23H2,1-3H3,(H,27,29).
What are the key properties of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 118644374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).