3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one

C22H32N6O — CID 56940770

IUPAC3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(C2CC2)CC1
InChIInChI=1S/C22H32N6O/c29-20(28-14-12-27(13-15-28)17-6-7-17)9-8-18-21-19(26-25-18)10-11-23-22(21)24-16-4-2-1-3-5-16/h10-11,16-17H,1-9,12-15H2,(H,23,24)(H,25,26)
InChIKeyWRNPZGCADNYDDY-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.94
Rot. Bonds6

About 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one (PubChem CID 56940770) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
PubChem CID56940770
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(C2CC2)CC1
InChIInChI=1S/C22H32N6O/c29-20(28-14-12-27(13-15-28)17-6-7-17)9-8-18-21-19(26-25-18)10-11-23-22(21)24-16-4-2-1-3-5-16/h10-11,16-17H,1-9,12-15H2,(H,23,24)(H,25,26)
InChIKeyWRNPZGCADNYDDY-UHFFFAOYSA-N
XLogP2.94
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one (CID 56940770) is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one is O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(C2CC2)CC1.
What is the InChIKey of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
The InChIKey is WRNPZGCADNYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c29-20(28-14-12-27(13-15-28)17-6-7-17)9-8-18-21-19(26-25-18)10-11-23-22(21)24-16-4-2-1-3-5-16/h10-11,16-17H,1-9,12-15H2,(H,23,24)(H,25,26).
What are the key properties of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one has a molecular weight of 396.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 56940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).