5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C24H30FN7O2S — CID 172539833

IUPAC5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(N)c(C(=O)NC(C)Cc3cnc(N4CC(N)C5(C4)OCCC5C)c(F)c3)sc2n1
InChIInChI=1S/C24H30FN7O2S/c1-12-4-5-34-24(12)11-32(10-18(24)26)21-17(25)7-15(8-29-21)6-13(2)30-22(33)20-19(27)16-9-28-14(3)31-23(16)35-20/h7-9,12-13,18H,4-6,10-11,26-27H2,1-3H3,(H,30,33)
InChIKeyKFYYBSWOMANGNV-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.42
Rot. Bonds5

About 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172539833) has the molecular formula C24H30FN7O2S and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID172539833
Molecular FormulaC24H30FN7O2S
Molecular Weight499.62 g/mol
Exact Mass499.22
IUPAC Name5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(N)c(C(=O)NC(C)Cc3cnc(N4CC(N)C5(C4)OCCC5C)c(F)c3)sc2n1
InChIInChI=1S/C24H30FN7O2S/c1-12-4-5-34-24(12)11-32(10-18(24)26)21-17(25)7-15(8-29-21)6-13(2)30-22(33)20-19(27)16-9-28-14(3)31-23(16)35-20/h7-9,12-13,18H,4-6,10-11,26-27H2,1-3H3,(H,30,33)
InChIKeyKFYYBSWOMANGNV-UHFFFAOYSA-N
XLogP2.42
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-4-[(3S)-3-[(1-methylimidazol-2-yl)methoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 140121390
4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4337400
3-amino-4-[(3S)-3-[(3-methyl-1,2,4-thiadiazol-5-yl)methoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 140121453
N-(3-fluorobenzyl)-5-methyl-4-[(tetrahydro-2-furanylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166740
N-(4-fluorobenzyl)-5-methyl-4-[(tetrahydro-2-furanylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 45167342
3-Amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 21064684
5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71100955
[[4-[[4-Fluoro-5-methyl-7-[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]oxycyclohept-3-en-1-yl]amino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-methoxymethylidene]azanium
CID 91283522
4-[[1-[4-[ethyl(1H-pyrrol-2-ylmethyl)amino]butan-2-yloxy]-5-fluoro-6-methylhept-4-en-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 91296101
5-amino-N-[(3R)-1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134207703
5-amino-N-[(3S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134207716
5-amino-N-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134216650

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172539833) is 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1ncc2c(N)c(C(=O)NC(C)Cc3cnc(N4CC(N)C5(C4)OCCC5C)c(F)c3)sc2n1.
What is the InChIKey of 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KFYYBSWOMANGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O2S/c1-12-4-5-34-24(12)11-32(10-18(24)26)21-17(25)7-15(8-29-21)6-13(2)30-22(33)20-19(27)16-9-28-14(3)31-23(16)35-20/h7-9,12-13,18H,4-6,10-11,26-27H2,1-3H3,(H,30,33).
What are the key properties of 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[6-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5-fluoro-3-pyridinyl]propan-2-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172539833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).