4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine

C19H19F2N7 — CID 144535938

IUPAC4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESFc1cc(CNc2nccc(NC3C=C([C@H]4C[C@@H]4F)NN3)n2)c2cc[nH]c2c1
InChIInChI=1S/C19H19F2N7/c20-11-5-10(12-1-3-22-15(12)6-11)9-24-19-23-4-2-17(26-19)25-18-8-16(27-28-18)13-7-14(13)21/h1-6,8,13-14,18,22,27-28H,7,9H2,(H2,23,24,25,26)/t13-,14-,18?/m0/s1
InChIKeyGNCIGLIWZKGOJA-QPKCZYJBSA-N
MW383.41 g/mol
LogP2.80
Rot. Bonds6

About 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine

4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 144535938) has the molecular formula C19H19F2N7 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID144535938
Molecular FormulaC19H19F2N7
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESFc1cc(CNc2nccc(NC3C=C([C@H]4C[C@@H]4F)NN3)n2)c2cc[nH]c2c1
InChIInChI=1S/C19H19F2N7/c20-11-5-10(12-1-3-22-15(12)6-11)9-24-19-23-4-2-17(26-19)25-18-8-16(27-28-18)13-7-14(13)21/h1-6,8,13-14,18,22,27-28H,7,9H2,(H2,23,24,25,26)/t13-,14-,18?/m0/s1
InChIKeyGNCIGLIWZKGOJA-QPKCZYJBSA-N
XLogP2.80
TPSA89.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine 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 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine (CID 144535938) is 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine is Fc1cc(CNc2nccc(NC3C=C([C@H]4C[C@@H]4F)NN3)n2)c2cc[nH]c2c1.
What is the InChIKey of 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GNCIGLIWZKGOJA-QPKCZYJBSA-N. The full InChI is InChI=1S/C19H19F2N7/c20-11-5-10(12-1-3-22-15(12)6-11)9-24-19-23-4-2-17(26-19)25-18-8-16(27-28-18)13-7-14(13)21/h1-6,8,13-14,18,22,27-28H,7,9H2,(H2,23,24,25,26)/t13-,14-,18?/m0/s1.
What are the key properties of 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?
4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 383.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-[(1R,2S)-2-fluorocyclopropyl]-2,3-dihydro-1H-pyrazol-3-yl]-2-N-[(6-fluoro-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 144535938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).