N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

C25H26FN5O3 — CID 58310721

IUPACN-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1CCC(Oc2cc(-c3ccnc(N)n3)ccc2NC(=O)C2COc3ccc(F)cc3C2)C1
InChIInChI=1S/C25H26FN5O3/c1-31-9-7-19(13-31)34-23-12-15(20-6-8-28-25(27)30-20)2-4-21(23)29-24(32)17-10-16-11-18(26)3-5-22(16)33-14-17/h2-6,8,11-12,17,19H,7,9-10,13-14H2,1H3,(H,29,32)(H2,27,28,30)
InChIKeyOEAMBDUMPYKJKZ-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.14
Rot. Bonds5

About N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 58310721) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID58310721
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1CCC(Oc2cc(-c3ccnc(N)n3)ccc2NC(=O)C2COc3ccc(F)cc3C2)C1
InChIInChI=1S/C25H26FN5O3/c1-31-9-7-19(13-31)34-23-12-15(20-6-8-28-25(27)30-20)2-4-21(23)29-24(32)17-10-16-11-18(26)3-5-22(16)33-14-17/h2-6,8,11-12,17,19H,7,9-10,13-14H2,1H3,(H,29,32)(H2,27,28,30)
InChIKeyOEAMBDUMPYKJKZ-UHFFFAOYSA-N
XLogP3.14
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-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-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (CID 58310721) is N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is CN1CCC(Oc2cc(-c3ccnc(N)n3)ccc2NC(=O)C2COc3ccc(F)cc3C2)C1.
What is the InChIKey of N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OEAMBDUMPYKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-31-9-7-19(13-31)34-23-12-15(20-6-8-28-25(27)30-20)2-4-21(23)29-24(32)17-10-16-11-18(26)3-5-22(16)33-14-17/h2-6,8,11-12,17,19H,7,9-10,13-14H2,1H3,(H,29,32)(H2,27,28,30).
What are the key properties of N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)oxyphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 58310721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).