(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol

C20H25N5O — CID 176572322

IUPAC(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol
SMILESCc1ccc(N)cc1-c1cc(N[C@H](C)CO)nc(-c2c(C)n[nH]c2C)c1
InChIInChI=1S/C20H25N5O/c1-11-5-6-16(21)9-17(11)15-7-18(20-13(3)24-25-14(20)4)23-19(8-15)22-12(2)10-26/h5-9,12,26H,10,21H2,1-4H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyUAXXZWURPIVMEA-GFCCVEGCSA-N
MW351.45 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol

(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 176572322) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol
PubChem CID176572322
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol
SMILESCc1ccc(N)cc1-c1cc(N[C@H](C)CO)nc(-c2c(C)n[nH]c2C)c1
InChIInChI=1S/C20H25N5O/c1-11-5-6-16(21)9-17(11)15-7-18(20-13(3)24-25-14(20)4)23-19(8-15)22-12(2)10-26/h5-9,12,26H,10,21H2,1-4H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyUAXXZWURPIVMEA-GFCCVEGCSA-N
XLogP3.44
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol
CID 176572351
2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
CID 177153114
4-(5-amino-2-methylphenyl)-N-butan-2-ylbenzenesulfonamide
CID 110454016
formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
CID 177153092
2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile
CID 56876978
2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 118949100
(3R)-N-[3-[2-(3,6-dihydro-2H-pyran-4-yl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 157428408
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780227
2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
CID 177153017
N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 169024748
3-(3-chloro-5-methylphenyl)-4-methylaniline
CID 168929522
cyclopropanecarbaldehyde;2-[[6-[2-(methylamino)-4-pyridinyl]-4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]amino]propan-1-ol;5-(trifluoromethyl)pyridazine-3-carbaldehyde
CID 176572504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol (CID 176572322) is (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol is Cc1ccc(N)cc1-c1cc(N[C@H](C)CO)nc(-c2c(C)n[nH]c2C)c1.
What is the InChIKey of (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is UAXXZWURPIVMEA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H25N5O/c1-11-5-6-16(21)9-17(11)15-7-18(20-13(3)24-25-14(20)4)23-19(8-15)22-12(2)10-26/h5-9,12,26H,10,21H2,1-4H3,(H,22,23)(H,24,25)/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol?
(2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 351.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(5-amino-2-methylphenyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 176572322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).