[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone

C24H27N7O2 — CID 175891801

IUPAC[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCN1Cc2cc(-c3cnc(N)c(-n4cc(C(=O)N5CCOCC5)cn4)n3)ccc2C2(CC2)C1
InChIInChI=1S/C24H27N7O2/c1-29-13-17-10-16(2-3-19(17)24(15-29)4-5-24)20-12-26-21(25)22(28-20)31-14-18(11-27-31)23(32)30-6-8-33-9-7-30/h2-3,10-12,14H,4-9,13,15H2,1H3,(H2,25,26)
InChIKeyGZNMVRILOOSYQC-UHFFFAOYSA-N
MW445.53 g/mol
LogP1.86
Rot. Bonds3

About [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone

[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 175891801) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID175891801
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCN1Cc2cc(-c3cnc(N)c(-n4cc(C(=O)N5CCOCC5)cn4)n3)ccc2C2(CC2)C1
InChIInChI=1S/C24H27N7O2/c1-29-13-17-10-16(2-3-19(17)24(15-29)4-5-24)20-12-26-21(25)22(28-20)31-14-18(11-27-31)23(32)30-6-8-33-9-7-30/h2-3,10-12,14H,4-9,13,15H2,1H3,(H2,25,26)
InChIKeyGZNMVRILOOSYQC-UHFFFAOYSA-N
XLogP1.86
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-[3-amino-6-(2,5-dimethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-sulfonamide
CID 175891814
[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659912
[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803
[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 68777874
[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 21111106
1-[3-amino-6-[3-cyano-4-(4-pyrrolidin-1-ylbutoxy)phenyl]pyrazin-2-yl]pyrazole-4-carboxamide
CID 176895407
[4-[2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 146274685
[1-[5-[5-(2-hydroxypropan-2-yl)thiophen-2-yl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660291
[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone
CID 175885076
N-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 118660029
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide
CID 176895425

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone (CID 175891801) is [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone is CN1Cc2cc(-c3cnc(N)c(-n4cc(C(=O)N5CCOCC5)cn4)n3)ccc2C2(CC2)C1.
What is the InChIKey of [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GZNMVRILOOSYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-29-13-17-10-16(2-3-19(17)24(15-29)4-5-24)20-12-26-21(25)22(28-20)31-14-18(11-27-31)23(32)30-6-8-33-9-7-30/h2-3,10-12,14H,4-9,13,15H2,1H3,(H2,25,26).
What are the key properties of [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 445.53 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 175891801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).