N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C22H25N5O3 — CID 164938825

IUPACN-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(CN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)C2CC2)ccn1
InChIInChI=1S/C22H25N5O3/c1-13-17(18-19(26-22(2)7-8-22)24-12-25-20(18)30-13)21(28)27(15-4-5-15)11-14-6-9-23-16(10-14)29-3/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3,(H,24,25,26)
InChIKeyZLLLYMGWXKESJG-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.70
Rot. Bonds7

About N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 164938825) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID164938825
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(CN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)C2CC2)ccn1
InChIInChI=1S/C22H25N5O3/c1-13-17(18-19(26-22(2)7-8-22)24-12-25-20(18)30-13)21(28)27(15-4-5-15)11-14-6-9-23-16(10-14)29-3/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3,(H,24,25,26)
InChIKeyZLLLYMGWXKESJG-UHFFFAOYSA-N
XLogP3.70
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]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-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 164938825) is N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is COc1cc(CN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)C2CC2)ccn1.
What is the InChIKey of N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZLLLYMGWXKESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-17(18-19(26-22(2)7-8-22)24-12-25-20(18)30-13)21(28)27(15-4-5-15)11-14-6-9-23-16(10-14)29-3/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3,(H,24,25,26).
What are the key properties of N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 164938825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).