N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine

C32H43FN6 — CID 71226897

IUPACN-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cc(/C(F)=C/c2ccc(CN(C(C)C)C(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C32H43FN6/c1-23(2)38(24(3)4)21-27-8-6-26(7-9-27)19-30(33)31-18-25(5)39(35-31)22-28-12-13-34-32(20-28)37-16-14-36(15-17-37)29-10-11-29/h6-9,12-13,18-20,23-24,29H,10-11,14-17,21-22H2,1-5H3/b30-19-
InChIKeyDVTKKCJKZYIBSQ-FSGOGVSDSA-N
MW530.74 g/mol
LogP6.01
Rot. Bonds10

About N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine

N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 71226897) has the molecular formula C32H43FN6 and a molecular weight of 530.74 g/mol. Its IUPAC name is N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
PubChem CID71226897
Molecular FormulaC32H43FN6
Molecular Weight530.74 g/mol
Exact Mass530.35
IUPAC NameN-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cc(/C(F)=C/c2ccc(CN(C(C)C)C(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C32H43FN6/c1-23(2)38(24(3)4)21-27-8-6-26(7-9-27)19-30(33)31-18-25(5)39(35-31)22-28-12-13-34-32(20-28)37-16-14-36(15-17-37)29-10-11-29/h6-9,12-13,18-20,23-24,29H,10-11,14-17,21-22H2,1-5H3/b30-19-
InChIKeyDVTKKCJKZYIBSQ-FSGOGVSDSA-N
XLogP6.01
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.74
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine (CID 71226897) is N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine is Cc1cc(/C(F)=C/c2ccc(CN(C(C)C)C(C)C)cc2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1.
What is the InChIKey of N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is DVTKKCJKZYIBSQ-FSGOGVSDSA-N. The full InChI is InChI=1S/C32H43FN6/c1-23(2)38(24(3)4)21-27-8-6-26(7-9-27)19-30(33)31-18-25(5)39(35-31)22-28-12-13-34-32(20-28)37-16-14-36(15-17-37)29-10-11-29/h6-9,12-13,18-20,23-24,29H,10-11,14-17,21-22H2,1-5H3/b30-19-.
What are the key properties of N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 530.74 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 71226897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).