2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide

C22H23N7O — CID 155534544

IUPAC2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)nn4ccccc34)cn2)c1
InChIInChI=1S/C22H23N7O/c1-14-10-15(2)26-20(11-14)27-22-24-12-17(13-25-22)21(30)23-8-7-18-16(3)28-29-9-5-4-6-19(18)29/h4-6,9-13H,7-8H2,1-3H3,(H,23,30)(H,24,25,26,27)
InChIKeyNTRGIJBARADQFK-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.16
Rot. Bonds6

About 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155534544) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155534544
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)nn4ccccc34)cn2)c1
InChIInChI=1S/C22H23N7O/c1-14-10-15(2)26-20(11-14)27-22-24-12-17(13-25-22)21(30)23-8-7-18-16(3)28-29-9-5-4-6-19(18)29/h4-6,9-13H,7-8H2,1-3H3,(H,23,30)(H,24,25,26,27)
InChIKeyNTRGIJBARADQFK-UHFFFAOYSA-N
XLogP3.16
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155534544) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide is Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)nn4ccccc34)cn2)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is NTRGIJBARADQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-10-15(2)26-20(11-14)27-22-24-12-17(13-25-22)21(30)23-8-7-18-16(3)28-29-9-5-4-6-19(18)29/h4-6,9-13H,7-8H2,1-3H3,(H,23,30)(H,24,25,26,27).
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide?
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155534544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).