N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

C24H24N6O3 — CID 168728145

IUPACN-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4oc(C(=O)NC5CC5)cc4n3)n2)c1
InChIInChI=1S/C24H24N6O3/c1-15-3-2-4-16(13-15)18-7-8-30(28-18)24-26-19-14-20(23(31)25-17-5-6-17)33-21(19)22(27-24)29-9-11-32-12-10-29/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,25,31)
InChIKeyJBERMVQPKKOMDY-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.11
Rot. Bonds5

About N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (PubChem CID 168728145) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
PubChem CID168728145
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4oc(C(=O)NC5CC5)cc4n3)n2)c1
InChIInChI=1S/C24H24N6O3/c1-15-3-2-4-16(13-15)18-7-8-30(28-18)24-26-19-14-20(23(31)25-17-5-6-17)33-21(19)22(27-24)29-9-11-32-12-10-29/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,25,31)
InChIKeyJBERMVQPKKOMDY-UHFFFAOYSA-N
XLogP3.11
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
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-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738321
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166738323
[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
CID 169032688
5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 169032571
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032486
5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide
CID 169032761

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (CID 168728145) is N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is Cc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4oc(C(=O)NC5CC5)cc4n3)n2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is JBERMVQPKKOMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-3-2-4-16(13-15)18-7-8-30(28-18)24-26-19-14-20(23(31)25-17-5-6-17)33-21(19)22(27-24)29-9-11-32-12-10-29/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,25,31).
What are the key properties of N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 168728145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).