N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine

C21H19N7 — CID 138627153

IUPACN,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)CC1=CC(=CN=C1)C2=CC3=C(NN=C3N=C2)C4=CC5=C(N4)N=CC=C5
InChIInChI=1S/C21H19N7/c1-28(2)12-13-6-15(10-22-9-13)16-7-17-19(26-27-21(17)24-11-16)18-8-14-4-3-5-23-20(14)25-18/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyLPDIATXAFSNTSF-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.30
Rot. Bonds4

About N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 138627153) has the molecular formula C21H19N7 and a molecular weight of 369.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID138627153
Molecular FormulaC21H19N7
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC NameN,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)CC1=CC(=CN=C1)C2=CC3=C(NN=C3N=C2)C4=CC5=C(N4)N=CC=C5
InChIInChI=1S/C21H19N7/c1-28(2)12-13-6-15(10-22-9-13)16-7-17-19(26-27-21(17)24-11-16)18-8-14-4-3-5-23-20(14)25-18/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyLPDIATXAFSNTSF-UHFFFAOYSA-N
XLogP2.30
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity529

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine (CID 138627153) is N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)CC1=CC(=CN=C1)C2=CC3=C(NN=C3N=C2)C4=CC5=C(N4)N=CC=C5.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is LPDIATXAFSNTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-28(2)12-13-6-15(10-22-9-13)16-7-17-19(26-27-21(17)24-11-16)18-8-14-4-3-5-23-20(14)25-18/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 369.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 138627153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).