(3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine

C30H28F2N8O — CID 177367847

IUPAC(3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3nc(CN[C@H]4CCOC4)ccc3F)cn2)c1
InChIInChI=1S/C30H28F2N8O/c1-39-17-34-38-30(39)25-12-21(31)4-6-24(25)19-10-27(18-2-3-18)37-28(11-19)40-15-20(13-35-40)29-26(32)7-5-22(36-29)14-33-23-8-9-41-16-23/h4-7,10-13,15,17-18,23,33H,2-3,8-9,14,16H2,1H3/t23-/m0/s1
InChIKeyAPAFNZZMQLZPTL-QHCPKHFHSA-N
MW554.61 g/mol
LogP4.83
Rot. Bonds8

About (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine

(3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine (PubChem CID 177367847) has the molecular formula C30H28F2N8O and a molecular weight of 554.61 g/mol. Its IUPAC name is (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine
PubChem CID177367847
Molecular FormulaC30H28F2N8O
Molecular Weight554.61 g/mol
Exact Mass554.24
IUPAC Name(3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3nc(CN[C@H]4CCOC4)ccc3F)cn2)c1
InChIInChI=1S/C30H28F2N8O/c1-39-17-34-38-30(39)25-12-21(31)4-6-24(25)19-10-27(18-2-3-18)37-28(11-19)40-15-20(13-35-40)29-26(32)7-5-22(36-29)14-33-23-8-9-41-16-23/h4-7,10-13,15,17-18,23,33H,2-3,8-9,14,16H2,1H3/t23-/m0/s1
InChIKeyAPAFNZZMQLZPTL-QHCPKHFHSA-N
XLogP4.83
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine 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

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CID 90292741
4-[4-[5-(1-Cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine
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6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168278835
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Pyrrolidinyl urea derivative 13
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine (CID 177367847) is (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine is Cn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3nc(CN[C@H]4CCOC4)ccc3F)cn2)c1.
What is the InChIKey of (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine?
The InChIKey is APAFNZZMQLZPTL-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H28F2N8O/c1-39-17-34-38-30(39)25-12-21(31)4-6-24(25)19-10-27(18-2-3-18)37-28(11-19)40-15-20(13-35-40)29-26(32)7-5-22(36-29)14-33-23-8-9-41-16-23/h4-7,10-13,15,17-18,23,33H,2-3,8-9,14,16H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine?
(3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine has a molecular weight of 554.61 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]methyl]oxolan-3-amine is sourced from PubChem (CID 177367847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).