N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine

C26H33N7 — CID 142742906

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine
SMILESCN1CCN(c2ccc(Nc3ncc4c(n3)-c3ccc(N5CCCCC5)n3CC4)cc2)CC1
InChIInChI=1S/C26H33N7/c1-30-15-17-31(18-16-30)22-7-5-21(6-8-22)28-26-27-19-20-11-14-33-23(25(20)29-26)9-10-24(33)32-12-3-2-4-13-32/h5-10,19H,2-4,11-18H2,1H3,(H,27,28,29)
InChIKeyIKIJKWHKSMAWIK-UHFFFAOYSA-N
MW443.60 g/mol
LogP3.99
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine (PubChem CID 142742906) has the molecular formula C26H33N7 and a molecular weight of 443.60 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine
PubChem CID142742906
Molecular FormulaC26H33N7
Molecular Weight443.60 g/mol
Exact Mass443.28
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine
SMILESCN1CCN(c2ccc(Nc3ncc4c(n3)-c3ccc(N5CCCCC5)n3CC4)cc2)CC1
InChIInChI=1S/C26H33N7/c1-30-15-17-31(18-16-30)22-7-5-21(6-8-22)28-26-27-19-20-11-14-33-23(25(20)29-26)9-10-24(33)32-12-3-2-4-13-32/h5-10,19H,2-4,11-18H2,1H3,(H,27,28,29)
InChIKeyIKIJKWHKSMAWIK-UHFFFAOYSA-N
XLogP3.99
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,1]benzothiazin-2-amine
CID 90146060
[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298550
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]methanone
CID 109313354
4-(1-methylbenzimidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 169085545
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,5-oxazonan-5-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 174180811
4-N,5-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;tris(phosphanyl)phosphane
CID 157145988
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165813
1-[4-[4-[(8-cyclopentyl-7-hydroxy-5,6-dihydroquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 135550669

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine (CID 142742906) is N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine is CN1CCN(c2ccc(Nc3ncc4c(n3)-c3ccc(N5CCCCC5)n3CC4)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine?
The InChIKey is IKIJKWHKSMAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7/c1-30-15-17-31(18-16-30)22-7-5-21(6-8-22)28-26-27-19-20-11-14-33-23(25(20)29-26)9-10-24(33)32-12-3-2-4-13-32/h5-10,19H,2-4,11-18H2,1H3,(H,27,28,29).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine has a molecular weight of 443.60 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine is sourced from PubChem (CID 142742906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).