1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol

C21H28N6O — CID 177317932

IUPAC1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(N3CCNCC3)cc(Nc3ccc(C4CC4)cn3)n2)C1
InChIInChI=1S/C21H28N6O/c28-18-5-8-27(14-18)21-12-17(26-9-6-22-7-10-26)11-20(25-21)24-19-4-3-16(13-23-19)15-1-2-15/h3-4,11-13,15,18,22,28H,1-2,5-10,14H2,(H,23,24,25)
InChIKeyFZZDJHNVHVYQTH-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.08
Rot. Bonds5

About 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol

1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 177317932) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
PubChem CID177317932
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(N3CCNCC3)cc(Nc3ccc(C4CC4)cn3)n2)C1
InChIInChI=1S/C21H28N6O/c28-18-5-8-27(14-18)21-12-17(26-9-6-22-7-10-26)11-20(25-21)24-19-4-3-16(13-23-19)15-1-2-15/h3-4,11-13,15,18,22,28H,1-2,5-10,14H2,(H,23,24,25)
InChIKeyFZZDJHNVHVYQTH-UHFFFAOYSA-N
XLogP2.08
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
CID 177317957
(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
CID 177318071
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
CID 177317936
1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]piperidin-3-ol
CID 177317955
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
1-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[5-[2-[2-[6-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperazin-1-yl-2-pyridinyl]amino]-4-(trifluoromethyl)-3-pyridinyl]cyclopropyl]cyclopropyl]pyrazin-2-yl]amino]-4-pyridinyl]piperidin-3-ol
CID 177318067
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 56968316
1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine
CID 175159451
1-[4-(4-hydroxycyclohexyl)phenyl]piperidin-4-ol
CID 54277612

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol (CID 177317932) is 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol is OC1CCN(c2cc(N3CCNCC3)cc(Nc3ccc(C4CC4)cn3)n2)C1.
What is the InChIKey of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is FZZDJHNVHVYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c28-18-5-8-27(14-18)21-12-17(26-9-6-22-7-10-26)11-20(25-21)24-19-4-3-16(13-23-19)15-1-2-15/h3-4,11-13,15,18,22,28H,1-2,5-10,14H2,(H,23,24,25).
What are the key properties of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol?
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 380.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 177317932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).