N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C23H28N4O3 — CID 24793672

IUPACN-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)NCC1CCCO1)c(=O)n2C
InChIInChI=1S/C23H28N4O3/c1-15-19(11-12-20(28)24-14-18-10-7-13-30-18)23(29)26(3)22-21(15)16(2)25-27(22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,24,28)
InChIKeyVWWNRQZZWZLSPN-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.57
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 24793672) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID24793672
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)NCC1CCCO1)c(=O)n2C
InChIInChI=1S/C23H28N4O3/c1-15-19(11-12-20(28)24-14-18-10-7-13-30-18)23(29)26(3)22-21(15)16(2)25-27(22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,24,28)
InChIKeyVWWNRQZZWZLSPN-UHFFFAOYSA-N
XLogP2.57
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 24793672) is N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)NCC1CCCO1)c(=O)n2C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is VWWNRQZZWZLSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-19(11-12-20(28)24-14-18-10-7-13-30-18)23(29)26(3)22-21(15)16(2)25-27(22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,24,28).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 24793672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).