[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium

C19H16FN7O2 — CID 140604836

IUPAC[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium
SMILES[O-][NH2+]c1cnc(-c2cnn3ccncc23)nc1N[C@@H]1CCOc2c(F)cccc21
InChIInChI=1S/C19H16FN7O2/c20-13-3-1-2-11-14(4-7-29-17(11)13)24-19-15(26-28)9-22-18(25-19)12-8-23-27-6-5-21-10-16(12)27/h1-3,5-6,8-10,14H,4,7,26H2,(H,22,24,25)/t14-/m1/s1
InChIKeyPYWAZOPCXPCTOU-CQSZACIVSA-N
MW393.38 g/mol
LogP1.95
Rot. Bonds4

About [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium

[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium (PubChem CID 140604836) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium.

Molecular Properties

Compound Name[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium
PubChem CID140604836
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium
SMILES[O-][NH2+]c1cnc(-c2cnn3ccncc23)nc1N[C@@H]1CCOc2c(F)cccc21
InChIInChI=1S/C19H16FN7O2/c20-13-3-1-2-11-14(4-7-29-17(11)13)24-19-15(26-28)9-22-18(25-19)12-8-23-27-6-5-21-10-16(12)27/h1-3,5-6,8-10,14H,4,7,26H2,(H,22,24,25)/t14-/m1/s1
InChIKeyPYWAZOPCXPCTOU-CQSZACIVSA-N
XLogP1.95
TPSA116.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
CID 129320692
5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
CID 53375189
2-N-(2-amino-5-fluorophenyl)-4-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5-nitropyrimidine-2,4-diamine
CID 66970617
2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol
CID 167941938
9-(4,4-difluorocyclohexyl)-2-pyrazolo[1,5-a]pyrazin-3-yl-7H-purin-8-one
CID 54767864
tert-butyl N-[4-fluoro-2-[[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-5-nitropyrimidin-2-yl]amino]phenyl]carbamate
CID 66970500
3-oxo-3-[(3R)-3-[(2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propanenitrile
CID 53358177
9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
CID 67047192
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556
3-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methylamino]pyridine-4-carboxylic acid
CID 77105137
2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167773576
6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine
CID 140525674

Frequently Asked Questions

What is the IUPAC name of [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium?
The IUPAC name of [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium (CID 140604836) is [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium.
What is the SMILES notation for [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium?
The canonical SMILES for [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium is [O-][NH2+]c1cnc(-c2cnn3ccncc23)nc1N[C@@H]1CCOc2c(F)cccc21.
What is the InChIKey of [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium?
The InChIKey is PYWAZOPCXPCTOU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16FN7O2/c20-13-3-1-2-11-14(4-7-29-17(11)13)24-19-15(26-28)9-22-18(25-19)12-8-23-27-6-5-21-10-16(12)27/h1-3,5-6,8-10,14H,4,7,26H2,(H,22,24,25)/t14-/m1/s1.
What are the key properties of [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium?
[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium has a molecular weight of 393.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium is sourced from PubChem (CID 140604836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).