5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile

C16H17N7 — CID 155384582

IUPAC5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCC1Cc2cc(C#N)nn2CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H17N7/c1-10-5-12-6-11(7-17)21-23(12)8-14(10)22(2)16-13-3-4-18-15(13)19-9-20-16/h3-4,6,9-10,14H,5,8H2,1-2H3,(H,18,19,20)
InChIKeyGNCXJZJFSWOYMO-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.72
Rot. Bonds2

About 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile

5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile (PubChem CID 155384582) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
PubChem CID155384582
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCC1Cc2cc(C#N)nn2CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H17N7/c1-10-5-12-6-11(7-17)21-23(12)8-14(10)22(2)16-13-3-4-18-15(13)19-9-20-16/h3-4,6,9-10,14H,5,8H2,1-2H3,(H,18,19,20)
InChIKeyGNCXJZJFSWOYMO-UHFFFAOYSA-N
XLogP1.72
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The IUPAC name of 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile (CID 155384582) is 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile is CC1Cc2cc(C#N)nn2CC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The InChIKey is GNCXJZJFSWOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-10-5-12-6-11(7-17)21-23(12)8-14(10)22(2)16-13-3-4-18-15(13)19-9-20-16/h3-4,6,9-10,14H,5,8H2,1-2H3,(H,18,19,20).
What are the key properties of 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile is sourced from PubChem (CID 155384582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).