(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone

C25H31N7O — CID 91890367

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H31N7O/c33-25(31-17-15-29(16-18-31)22-7-3-4-10-26-22)19-8-12-30(13-9-19)24-23-20-5-1-2-6-21(20)28-32(23)14-11-27-24/h3-4,7,10-11,14,19H,1-2,5-6,8-9,12-13,15-18H2
InChIKeyQNWPGVJQEUNQBR-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.57
Rot. Bonds3

About (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone (PubChem CID 91890367) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
PubChem CID91890367
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H31N7O/c33-25(31-17-15-29(16-18-31)22-7-3-4-10-26-22)19-8-12-30(13-9-19)24-23-20-5-1-2-6-21(20)28-32(23)14-11-27-24/h3-4,7,10-11,14,19H,1-2,5-6,8-9,12-13,15-18H2
InChIKeyQNWPGVJQEUNQBR-UHFFFAOYSA-N
XLogP2.57
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890368
1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
CID 91817893
(E)-1-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 91817895
(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125129193
(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127509
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91817904
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
(3R)-N-propyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127332

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone (CID 91890367) is (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
The InChIKey is QNWPGVJQEUNQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c33-25(31-17-15-29(16-18-31)22-7-3-4-10-26-22)19-8-12-30(13-9-19)24-23-20-5-1-2-6-21(20)28-32(23)14-11-27-24/h3-4,7,10-11,14,19H,1-2,5-6,8-9,12-13,15-18H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone has a molecular weight of 445.57 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 91890367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).