N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C21H17N7 — CID 166184200

IUPACN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-n2cc(CNc3ncnc4[nH]ccc34)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H17N7/c1-2-4-17(5-3-1)28-13-16(19(27-28)15-6-9-22-10-7-15)12-24-21-18-8-11-23-20(18)25-14-26-21/h1-11,13-14H,12H2,(H2,23,24,25,26)
InChIKeyBQNRTRYSGSMEFZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.82
Rot. Bonds5

About N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166184200) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166184200
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-n2cc(CNc3ncnc4[nH]ccc34)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H17N7/c1-2-4-17(5-3-1)28-13-16(19(27-28)15-6-9-22-10-7-15)12-24-21-18-8-11-23-20(18)25-14-26-21/h1-11,13-14H,12H2,(H2,23,24,25,26)
InChIKeyBQNRTRYSGSMEFZ-UHFFFAOYSA-N
XLogP3.82
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 133408062
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CID 52822334
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
4-methylsulfonyl-2-nitro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]aniline
CID 60605155
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
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4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166184200) is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(-n2cc(CNc3ncnc4[nH]ccc34)c(-c3ccncc3)n2)cc1.
What is the InChIKey of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BQNRTRYSGSMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c1-2-4-17(5-3-1)28-13-16(19(27-28)15-6-9-22-10-7-15)12-24-21-18-8-11-23-20(18)25-14-26-21/h1-11,13-14H,12H2,(H2,23,24,25,26).
What are the key properties of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 367.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166184200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).