4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide

C24H27N7O2 — CID 168728110

IUPAC4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(-c2cnn(-c3nc(N)c4oc(C(=O)NC5CCCN(C)CC5)cc4n3)c2)c1
InChIInChI=1S/C24H27N7O2/c1-15-5-3-6-16(11-15)17-13-26-31(14-17)24-28-19-12-20(33-21(19)22(25)29-24)23(32)27-18-7-4-9-30(2)10-8-18/h3,5-6,11-14,18H,4,7-10H2,1-2H3,(H,27,32)(H2,25,28,29)
InChIKeyKRLXCESMPCTRPM-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.18
Rot. Bonds4

About 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide

4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 168728110) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
PubChem CID168728110
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(-c2cnn(-c3nc(N)c4oc(C(=O)NC5CCCN(C)CC5)cc4n3)c2)c1
InChIInChI=1S/C24H27N7O2/c1-15-5-3-6-16(11-15)17-13-26-31(14-17)24-28-19-12-20(33-21(19)22(25)29-24)23(32)27-18-7-4-9-30(2)10-8-18/h3,5-6,11-14,18H,4,7-10H2,1-2H3,(H,27,32)(H2,25,28,29)
InChIKeyKRLXCESMPCTRPM-UHFFFAOYSA-N
XLogP3.18
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738328
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738324
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
4-[2-[4-(3-methylphenyl)pyrazol-1-yl]-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166164823
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
CID 49016386

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide (CID 168728110) is 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide is Cc1cccc(-c2cnn(-c3nc(N)c4oc(C(=O)NC5CCCN(C)CC5)cc4n3)c2)c1.
What is the InChIKey of 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is KRLXCESMPCTRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-5-3-6-16(11-15)17-13-26-31(14-17)24-28-19-12-20(33-21(19)22(25)29-24)23(32)27-18-7-4-9-30(2)10-8-18/h3,5-6,11-14,18H,4,7-10H2,1-2H3,(H,27,32)(H2,25,28,29).
What are the key properties of 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide?
4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 168728110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).