N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide

C19H16ClN7O — CID 135377011

IUPACN-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)cc1Nc1nn(C)c2nc(Cl)ncc12
InChIInChI=1S/C19H16ClN7O/c1-11-6-7-12(23-18(28)14-5-3-4-8-21-14)9-15(11)24-16-13-10-22-19(20)25-17(13)27(2)26-16/h3-10H,1-2H3,(H,23,28)(H,24,26)
InChIKeyVEVDQIZPZONUNX-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.72
Rot. Bonds4

About N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide

N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide (PubChem CID 135377011) has the molecular formula C19H16ClN7O and a molecular weight of 393.84 g/mol. Its IUPAC name is N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide
PubChem CID135377011
Molecular FormulaC19H16ClN7O
Molecular Weight393.84 g/mol
Exact Mass393.11
IUPAC NameN-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)cc1Nc1nn(C)c2nc(Cl)ncc12
InChIInChI=1S/C19H16ClN7O/c1-11-6-7-12(23-18(28)14-5-3-4-8-21-14)9-15(11)24-16-13-10-22-19(20)25-17(13)27(2)26-16/h3-10H,1-2H3,(H,23,28)(H,24,26)
InChIKeyVEVDQIZPZONUNX-UHFFFAOYSA-N
XLogP3.72
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide (CID 135377011) is N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccccn2)cc1Nc1nn(C)c2nc(Cl)ncc12.
What is the InChIKey of N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide?
The InChIKey is VEVDQIZPZONUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O/c1-11-6-7-12(23-18(28)14-5-3-4-8-21-14)9-15(11)24-16-13-10-22-19(20)25-17(13)27(2)26-16/h3-10H,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide?
N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide has a molecular weight of 393.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 135377011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).