N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide

C24H24N6O3 — CID 166738321

IUPACN-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC2)oc2c(N3CCOCC3)nc(-n3ccc(-c4ccccc4)n3)nc12
InChIInChI=1S/C24H24N6O3/c1-15-19-21(33-20(15)23(31)25-17-7-8-17)22(29-11-13-32-14-12-29)27-24(26-19)30-10-9-18(28-30)16-5-3-2-4-6-16/h2-6,9-10,17H,7-8,11-14H2,1H3,(H,25,31)
InChIKeyRRRFVQQEAXXCBU-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.11
Rot. Bonds5

About N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide

N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166738321) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
PubChem CID166738321
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC2)oc2c(N3CCOCC3)nc(-n3ccc(-c4ccccc4)n3)nc12
InChIInChI=1S/C24H24N6O3/c1-15-19-21(33-20(15)23(31)25-17-7-8-17)22(29-11-13-32-14-12-29)27-24(26-19)30-10-9-18(28-30)16-5-3-2-4-6-16/h2-6,9-10,17H,7-8,11-14H2,1H3,(H,25,31)
InChIKeyRRRFVQQEAXXCBU-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide (CID 166738321) is N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CC2)oc2c(N3CCOCC3)nc(-n3ccc(-c4ccccc4)n3)nc12.
What is the InChIKey of N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is RRRFVQQEAXXCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-19-21(33-20(15)23(31)25-17-7-8-17)22(29-11-13-32-14-12-29)27-24(26-19)30-10-9-18(28-30)16-5-3-2-4-6-16/h2-6,9-10,17H,7-8,11-14H2,1H3,(H,25,31).
What are the key properties of N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[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-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166738321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).