N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde

C19H20N6O — CID 145228684

IUPACN,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde
SMILESC=O.CNc1c(C)c(-c2cnc3c(cnn3C)c2)nn1-c1ccccc1
InChIInChI=1S/C18H18N6.CH2O/c1-12-16(13-9-14-11-21-23(3)18(14)20-10-13)22-24(17(12)19-2)15-7-5-4-6-8-15;1-2/h4-11,19H,1-3H3;1H2
InChIKeyFERZKHIVNBNZTK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.99
Rot. Bonds3

About N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde

N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde (PubChem CID 145228684) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde.

Molecular Properties

Compound NameN,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde
PubChem CID145228684
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde
SMILESC=O.CNc1c(C)c(-c2cnc3c(cnn3C)c2)nn1-c1ccccc1
InChIInChI=1S/C18H18N6.CH2O/c1-12-16(13-9-14-11-21-23(3)18(14)20-10-13)22-24(17(12)19-2)15-7-5-4-6-8-15;1-2/h4-11,19H,1-3H3;1H2
InChIKeyFERZKHIVNBNZTK-UHFFFAOYSA-N
XLogP2.99
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde?
The IUPAC name of N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde (CID 145228684) is N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde.
What is the SMILES notation for N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde?
The canonical SMILES for N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde is C=O.CNc1c(C)c(-c2cnc3c(cnn3C)c2)nn1-c1ccccc1.
What is the InChIKey of N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde?
The InChIKey is FERZKHIVNBNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6.CH2O/c1-12-16(13-9-14-11-21-23(3)18(14)20-10-13)22-24(17(12)19-2)15-7-5-4-6-8-15;1-2/h4-11,19H,1-3H3;1H2.
What are the key properties of N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde?
N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde has a molecular weight of 348.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde is sourced from PubChem (CID 145228684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).