[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol

C19H22ClN5O — CID 147961652

IUPAC[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol
SMILESCc1cc(Nc2cc(Nc3ccccc3CO)c(Cl)cn2)n(C(C)C)n1
InChIInChI=1S/C19H22ClN5O/c1-12(2)25-19(8-13(3)24-25)23-18-9-17(15(20)10-21-18)22-16-7-5-4-6-14(16)11-26/h4-10,12,26H,11H2,1-3H3,(H2,21,22,23)
InChIKeyIPPLGAFKWUIYLO-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.80
Rot. Bonds6

About [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol

[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol (PubChem CID 147961652) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol
PubChem CID147961652
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol
SMILESCc1cc(Nc2cc(Nc3ccccc3CO)c(Cl)cn2)n(C(C)C)n1
InChIInChI=1S/C19H22ClN5O/c1-12(2)25-19(8-13(3)24-25)23-18-9-17(15(20)10-21-18)22-16-7-5-4-6-14(16)11-26/h4-10,12,26H,11H2,1-3H3,(H2,21,22,23)
InChIKeyIPPLGAFKWUIYLO-UHFFFAOYSA-N
XLogP4.80
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol?
The IUPAC name of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol (CID 147961652) is [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol.
What is the SMILES notation for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol?
The canonical SMILES for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol is Cc1cc(Nc2cc(Nc3ccccc3CO)c(Cl)cn2)n(C(C)C)n1.
What is the InChIKey of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol?
The InChIKey is IPPLGAFKWUIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-12(2)25-19(8-13(3)24-25)23-18-9-17(15(20)10-21-18)22-16-7-5-4-6-14(16)11-26/h4-10,12,26H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol?
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol has a molecular weight of 371.87 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol is sourced from PubChem (CID 147961652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).