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2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C24H29F3N6O2 — CID 157030050

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCN1CC[C@@H](Oc2ccnc(-c3nc4c(c(N(C)CC(=O)NC5(C(F)(F)F)CC5)n3)CCC4)c2)C1
InChIInChI=1S/C24H29F3N6O2/c1-32-11-7-16(13-32)35-15-6-10-28-19(12-15)21-29-18-5-3-4-17(18)22(30-21)33(2)14-20(34)31-23(8-9-23)24(25,26)27/h6,10,12,16H,3-5,7-9,11,13-14H2,1-2H3,(H,31,34)/t16-/m1/s1
InChIKeyAZFMSYFCVPEBCL-MRXNPFEDSA-N
MW490.53 g/mol
LogP2.76
Rot. Bonds7

About 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 157030050) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID157030050
Molecular FormulaC24H29F3N6O2
Molecular Weight490.53 g/mol
Exact Mass490.23
IUPAC Name2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCN1CC[C@@H](Oc2ccnc(-c3nc4c(c(N(C)CC(=O)NC5(C(F)(F)F)CC5)n3)CCC4)c2)C1
InChIInChI=1S/C24H29F3N6O2/c1-32-11-7-16(13-32)35-15-6-10-28-19(12-15)21-29-18-5-3-4-17(18)22(30-21)33(2)14-20(34)31-23(8-9-23)24(25,26)27/h6,10,12,16H,3-5,7-9,11,13-14H2,1-2H3,(H,31,34)/t16-/m1/s1
InChIKeyAZFMSYFCVPEBCL-MRXNPFEDSA-N
XLogP2.76
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 157030050) is 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is CN1CC[C@@H](Oc2ccnc(-c3nc4c(c(N(C)CC(=O)NC5(C(F)(F)F)CC5)n3)CCC4)c2)C1.
What is the InChIKey of 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is AZFMSYFCVPEBCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c1-32-11-7-16(13-32)35-15-6-10-28-19(12-15)21-29-18-5-3-4-17(18)22(30-21)33(2)14-20(34)31-23(8-9-23)24(25,26)27/h6,10,12,16H,3-5,7-9,11,13-14H2,1-2H3,(H,31,34)/t16-/m1/s1.
What are the key properties of 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 490.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 157030050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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