3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine

C21H21N5 — CID 57482989

IUPAC3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C21H21N5/c1-26-20(12-19(25-26)16-6-7-16)24-13-14-2-4-15(5-3-14)17-8-10-22-21-18(17)9-11-23-21/h2-5,8-12,16,24H,6-7,13H2,1H3,(H,22,23)
InChIKeyBJKGGGHDZRCTJK-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.45
Rot. Bonds5

About 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine

3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine (PubChem CID 57482989) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine
PubChem CID57482989
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C21H21N5/c1-26-20(12-19(25-26)16-6-7-16)24-13-14-2-4-15(5-3-14)17-8-10-22-21-18(17)9-11-23-21/h2-5,8-12,16,24H,6-7,13H2,1H3,(H,22,23)
InChIKeyBJKGGGHDZRCTJK-UHFFFAOYSA-N
XLogP4.45
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine (CID 57482989) is 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine is Cn1nc(C2CC2)cc1NCc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine?
The InChIKey is BJKGGGHDZRCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-26-20(12-19(25-26)16-6-7-16)24-13-14-2-4-15(5-3-14)17-8-10-22-21-18(17)9-11-23-21/h2-5,8-12,16,24H,6-7,13H2,1H3,(H,22,23).
What are the key properties of 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine?
3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine has a molecular weight of 343.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazol-5-amine is sourced from PubChem (CID 57482989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).