N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine

C20H21N5 — CID 46885677

IUPACN,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)ccnc3[nH]2)cc1
InChIInChI=1S/C20H21N5/c1-24(2)12-14-4-6-15(7-5-14)19-10-18-17(8-9-21-20(18)23-19)16-11-22-25(3)13-16/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeyWVYZESHCWKLDBS-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.69
Rot. Bonds4

About N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine

N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine (PubChem CID 46885677) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
PubChem CID46885677
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)ccnc3[nH]2)cc1
InChIInChI=1S/C20H21N5/c1-24(2)12-14-4-6-15(7-5-14)19-10-18-17(8-9-21-20(18)23-19)16-11-22-25(3)13-16/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeyWVYZESHCWKLDBS-UHFFFAOYSA-N
XLogP3.69
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine (CID 46885677) is N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine is CN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)ccnc3[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine?
The InChIKey is WVYZESHCWKLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-24(2)12-14-4-6-15(7-5-14)19-10-18-17(8-9-21-20(18)23-19)16-11-22-25(3)13-16/h4-11,13H,12H2,1-3H3,(H,21,23).
What are the key properties of N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine?
N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine is sourced from PubChem (CID 46885677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).