N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide

C18H27N5O2 — CID 67031365

IUPACN-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide
SMILESCCC(=O)NCc1c(C)nc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C18H27N5O2/c1-4-16(24)19-10-14-12(3)21-18-15(11-20-23(18)5-2)17(14)22-13-6-8-25-9-7-13/h11,13H,4-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeySNFORXBOCNSCEO-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.38
Rot. Bonds6

About N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide

N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide (PubChem CID 67031365) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide
PubChem CID67031365
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide
SMILESCCC(=O)NCc1c(C)nc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C18H27N5O2/c1-4-16(24)19-10-14-12(3)21-18-15(11-20-23(18)5-2)17(14)22-13-6-8-25-9-7-13/h11,13H,4-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeySNFORXBOCNSCEO-UHFFFAOYSA-N
XLogP2.38
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide?
The IUPAC name of N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide (CID 67031365) is N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide is CCC(=O)NCc1c(C)nc2c(cnn2CC)c1NC1CCOCC1.
What is the InChIKey of N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide?
The InChIKey is SNFORXBOCNSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-16(24)19-10-14-12(3)21-18-15(11-20-23(18)5-2)17(14)22-13-6-8-25-9-7-13/h11,13H,4-10H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide?
N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide has a molecular weight of 345.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide is sourced from PubChem (CID 67031365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).