(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide

C22H24N4O — CID 167207156

IUPAC(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4c(c3)C[C@@H]3[C@@H](C(N)=O)[C@H]43)n1)CCC2
InChIInChI=1S/C22H24N4O/c1-11-7-8-26(11)22-24-17-4-2-3-15(17)20(25-22)12-5-6-14-13(9-12)10-16-18(14)19(16)21(23)27/h5-6,9,11,16,18-19H,2-4,7-8,10H2,1H3,(H2,23,27)/t11-,16-,18+,19+/m0/s1
InChIKeyXROQDYMSLSLPHE-NDCLTGCFSA-N
MW360.46 g/mol
LogP2.60
Rot. Bonds3

About (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide

(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide (PubChem CID 167207156) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide.

Molecular Properties

Compound Name(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
PubChem CID167207156
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4c(c3)C[C@@H]3[C@@H](C(N)=O)[C@H]43)n1)CCC2
InChIInChI=1S/C22H24N4O/c1-11-7-8-26(11)22-24-17-4-2-3-15(17)20(25-22)12-5-6-14-13(9-12)10-16-18(14)19(16)21(23)27/h5-6,9,11,16,18-19H,2-4,7-8,10H2,1H3,(H2,23,27)/t11-,16-,18+,19+/m0/s1
InChIKeyXROQDYMSLSLPHE-NDCLTGCFSA-N
XLogP2.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
The IUPAC name of (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide (CID 167207156) is (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide.
What is the SMILES notation for (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
The canonical SMILES for (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide is C[C@H]1CCN1c1nc2c(c(-c3ccc4c(c3)C[C@@H]3[C@@H](C(N)=O)[C@H]43)n1)CCC2.
What is the InChIKey of (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
The InChIKey is XROQDYMSLSLPHE-NDCLTGCFSA-N. The full InChI is InChI=1S/C22H24N4O/c1-11-7-8-26(11)22-24-17-4-2-3-15(17)20(25-22)12-5-6-14-13(9-12)10-16-18(14)19(16)21(23)27/h5-6,9,11,16,18-19H,2-4,7-8,10H2,1H3,(H2,23,27)/t11-,16-,18+,19+/m0/s1.
What are the key properties of (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
(1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aR,6aS)-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide is sourced from PubChem (CID 167207156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).