7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine

C23H22N8 — CID 155722955

IUPAC7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ccc(-c2c(-c3ccc(-n4ccc(C)n4)nc3)c3c(N)ncnc3n2C)cc1
InChIInChI=1S/C23H22N8/c1-14-10-11-31(29-14)18-9-6-16(12-26-18)19-20-22(24)27-13-28-23(20)30(3)21(19)15-4-7-17(25-2)8-5-15/h4-13,25H,1-3H3,(H2,24,27,28)
InChIKeyCCWWZWKNYQAZQN-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.82
Rot. Bonds4

About 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155722955) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155722955
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ccc(-c2c(-c3ccc(-n4ccc(C)n4)nc3)c3c(N)ncnc3n2C)cc1
InChIInChI=1S/C23H22N8/c1-14-10-11-31(29-14)18-9-6-16(12-26-18)19-20-22(24)27-13-28-23(20)30(3)21(19)15-4-7-17(25-2)8-5-15/h4-13,25H,1-3H3,(H2,24,27,28)
InChIKeyCCWWZWKNYQAZQN-UHFFFAOYSA-N
XLogP3.82
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-[4-(2-methylprop-2-enylamino)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 170154552
5-[4-amino-7-methyl-6-[4-(methylamino)phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-[(5-chloro-2-pyridinyl)oxy]phenol;2-methylprop-2-enal
CID 155723127
5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 155723035
N-[4-[4-amino-7-methyl-5-[6-[(1-oxothiolan-1-ylidene)amino]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 176888451
N-[4-[4-amino-7-methyl-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide
CID 155308917
N-[4-[4-amino-7-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155310657
N-[4-[4-amino-5-(3-bicyclo[3.2.1]oct-2-enyl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155309212
N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155309470
N-[4-[4-amino-5-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155310663
4-[4-amino-7-methyl-6-[4-(2-methylprop-2-enoylamino)phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2-hydroxyethyl)benzamide
CID 155308956
N-[4-[4-amino-5-(3,4-diethoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155309509
N-[4-[4-amino-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155308926

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 155722955) is 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine is CNc1ccc(-c2c(-c3ccc(-n4ccc(C)n4)nc3)c3c(N)ncnc3n2C)cc1.
What is the InChIKey of 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CCWWZWKNYQAZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-14-10-11-31(29-14)18-9-6-16(12-26-18)19-20-22(24)27-13-28-23(20)30(3)21(19)15-4-7-17(25-2)8-5-15/h4-13,25H,1-3H3,(H2,24,27,28).
What are the key properties of 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 410.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(methylamino)phenyl]-5-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155722955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).