7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C23H30N6O4 — CID 164523054

IUPAC7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)nc2ccnn12)C1CCOCC1
InChIInChI=1S/C23H30N6O4/c1-5-28(16-7-10-33-11-8-16)23-15(3)20(27-19-6-9-25-29(19)23)22(31)24-13-17-18(32-4)12-14(2)26-21(17)30/h6,9,12,16H,5,7-8,10-11,13H2,1-4H3,(H,24,31)(H,26,30)
InChIKeyIQKPPABSCPEEDA-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.98
Rot. Bonds7

About 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 164523054) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID164523054
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)nc2ccnn12)C1CCOCC1
InChIInChI=1S/C23H30N6O4/c1-5-28(16-7-10-33-11-8-16)23-15(3)20(27-19-6-9-25-29(19)23)22(31)24-13-17-18(32-4)12-14(2)26-21(17)30/h6,9,12,16H,5,7-8,10-11,13H2,1-4H3,(H,24,31)(H,26,30)
InChIKeyIQKPPABSCPEEDA-UHFFFAOYSA-N
XLogP1.98
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 164523054) is 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)nc2ccnn12)C1CCOCC1.
What is the InChIKey of 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is IQKPPABSCPEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-5-28(16-7-10-33-11-8-16)23-15(3)20(27-19-6-9-25-29(19)23)22(31)24-13-17-18(32-4)12-14(2)26-21(17)30/h6,9,12,16H,5,7-8,10-11,13H2,1-4H3,(H,24,31)(H,26,30).
What are the key properties of 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 164523054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).