5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile

C18H17FN6 — CID 122634597

IUPAC5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ccccc3)c(C#N)cc2F)n[nH]1
InChIInChI=1S/C18H17FN6/c1-11-8-16(25-24-11)22-18-15(19)9-14(10-20)17(23-18)21-12(2)13-6-4-3-5-7-13/h3-9,12H,1-2H3,(H3,21,22,23,24,25)/t12-/m0/s1
InChIKeyPKUCQQAHDNQZJX-LBPRGKRZSA-N
MW336.37 g/mol
LogP4.04
Rot. Bonds5

About 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile

5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile (PubChem CID 122634597) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile
PubChem CID122634597
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ccccc3)c(C#N)cc2F)n[nH]1
InChIInChI=1S/C18H17FN6/c1-11-8-16(25-24-11)22-18-15(19)9-14(10-20)17(23-18)21-12(2)13-6-4-3-5-7-13/h3-9,12H,1-2H3,(H3,21,22,23,24,25)/t12-/m0/s1
InChIKeyPKUCQQAHDNQZJX-LBPRGKRZSA-N
XLogP4.04
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile (CID 122634597) is 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile is Cc1cc(Nc2nc(N[C@@H](C)c3ccccc3)c(C#N)cc2F)n[nH]1.
What is the InChIKey of 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is PKUCQQAHDNQZJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN6/c1-11-8-16(25-24-11)22-18-15(19)9-14(10-20)17(23-18)21-12(2)13-6-4-3-5-7-13/h3-9,12H,1-2H3,(H3,21,22,23,24,25)/t12-/m0/s1.
What are the key properties of 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile?
5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 336.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 122634597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).