6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]

C24H24N4O2 — CID 129309451

IUPAC6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]
SMILESCOc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C5(OC)CC5)cc43)nc2)c1
InChIInChI=1S/C24H24N4O2/c1-29-18-5-10-25-20(12-18)16-13-26-22(27-14-16)28-15-23(6-7-23)19-4-3-17(11-21(19)28)24(30-2)8-9-24/h3-5,10-14H,6-9,15H2,1-2H3
InChIKeyMBCSYNDLXRZVLL-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.37
Rot. Bonds5

About 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]

6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane] (PubChem CID 129309451) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]
PubChem CID129309451
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]
SMILESCOc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C5(OC)CC5)cc43)nc2)c1
InChIInChI=1S/C24H24N4O2/c1-29-18-5-10-25-20(12-18)16-13-26-22(27-14-16)28-15-23(6-7-23)19-4-3-17(11-21(19)28)24(30-2)8-9-24/h3-5,10-14H,6-9,15H2,1-2H3
InChIKeyMBCSYNDLXRZVLL-UHFFFAOYSA-N
XLogP4.37
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane] (CID 129309451) is 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane] is COc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C5(OC)CC5)cc43)nc2)c1.
What is the InChIKey of 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is MBCSYNDLXRZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-29-18-5-10-25-20(12-18)16-13-26-22(27-14-16)28-15-23(6-7-23)19-4-3-17(11-21(19)28)24(30-2)8-9-24/h3-5,10-14H,6-9,15H2,1-2H3.
What are the key properties of 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]?
6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 400.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxycyclopropyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 129309451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).