1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine

C20H20ClN5 — CID 46866505

IUPAC1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)c(Cl)cnc3[nH]2)cc1
InChIInChI=1S/C20H20ClN5/c1-25(2)11-13-4-6-14(7-5-13)18-8-16-19(15-9-23-26(3)12-15)17(21)10-22-20(16)24-18/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyQWJHWNIFEWOQTF-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.35
Rot. Bonds4

About 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine

1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 46866505) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID46866505
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)c(Cl)cnc3[nH]2)cc1
InChIInChI=1S/C20H20ClN5/c1-25(2)11-13-4-6-14(7-5-13)18-8-16-19(15-9-23-26(3)12-15)17(21)10-22-20(16)24-18/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyQWJHWNIFEWOQTF-UHFFFAOYSA-N
XLogP4.35
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine (CID 46866505) is 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)c(Cl)cnc3[nH]2)cc1.
What is the InChIKey of 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is QWJHWNIFEWOQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c1-25(2)11-13-4-6-14(7-5-13)18-8-16-19(15-9-23-26(3)12-15)17(21)10-22-20(16)24-18/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 365.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46866505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).