5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine

C26H29FN6S — CID 164709720

IUPAC5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(C4CCN(C)CC4)cn3)ncc2F)sc2c(C(C)C)cncc12
InChIInChI=1S/C26H29FN6S/c1-15(2)19-12-28-13-20-16(3)24(34-25(19)20)23-21(27)14-30-26(32-23)31-22-6-5-18(11-29-22)17-7-9-33(4)10-8-17/h5-6,11-15,17H,7-10H2,1-4H3,(H,29,30,31,32)
InChIKeyNHRSVTGGIGHXBM-UHFFFAOYSA-N
MW476.63 g/mol
LogP6.27
Rot. Bonds5

About 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine

5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine (PubChem CID 164709720) has the molecular formula C26H29FN6S and a molecular weight of 476.63 g/mol. Its IUPAC name is 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
PubChem CID164709720
Molecular FormulaC26H29FN6S
Molecular Weight476.63 g/mol
Exact Mass476.22
IUPAC Name5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(C4CCN(C)CC4)cn3)ncc2F)sc2c(C(C)C)cncc12
InChIInChI=1S/C26H29FN6S/c1-15(2)19-12-28-13-20-16(3)24(34-25(19)20)23-21(27)14-30-26(32-23)31-22-6-5-18(11-29-22)17-7-9-33(4)10-8-17/h5-6,11-15,17H,7-10H2,1-4H3,(H,29,30,31,32)
InChIKeyNHRSVTGGIGHXBM-UHFFFAOYSA-N
XLogP6.27
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine (CID 164709720) is 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(C4CCN(C)CC4)cn3)ncc2F)sc2c(C(C)C)cncc12.
What is the InChIKey of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The InChIKey is NHRSVTGGIGHXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6S/c1-15(2)19-12-28-13-20-16(3)24(34-25(19)20)23-21(27)14-30-26(32-23)31-22-6-5-18(11-29-22)17-7-9-33(4)10-8-17/h5-6,11-15,17H,7-10H2,1-4H3,(H,29,30,31,32).
What are the key properties of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine has a molecular weight of 476.63 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(3-methyl-7-propan-2-ylthieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 164709720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).