2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile

C21H21N9 — CID 86707053

IUPAC2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1
InChIInChI=1S/C21H21N9/c22-5-9-29-15-17(14-25-29)18-11-19-16(12-24-18)13-26-30(19)21-4-1-3-20(27-21)28-8-2-6-23-7-10-28/h1,3-4,11-15,23H,2,6-10H2
InChIKeyNDXJCTYWGYPGPM-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile

2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile (PubChem CID 86707053) has the molecular formula C21H21N9 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile
PubChem CID86707053
Molecular FormulaC21H21N9
Molecular Weight399.46 g/mol
Exact Mass399.19
IUPAC Name2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1
InChIInChI=1S/C21H21N9/c22-5-9-29-15-17(14-25-29)18-11-19-16(12-24-18)13-26-30(19)21-4-1-3-20(27-21)28-8-2-6-23-7-10-28/h1,3-4,11-15,23H,2,6-10H2
InChIKeyNDXJCTYWGYPGPM-UHFFFAOYSA-N
XLogP2.00
TPSA100.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile (CID 86707053) is 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile is N#CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1.
What is the InChIKey of 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile?
The InChIKey is NDXJCTYWGYPGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9/c22-5-9-29-15-17(14-25-29)18-11-19-16(12-24-18)13-26-30(19)21-4-1-3-20(27-21)28-8-2-6-23-7-10-28/h1,3-4,11-15,23H,2,6-10H2.
What are the key properties of 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile?
2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile has a molecular weight of 399.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 86707053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).