4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide

C26H30FN7O — CID 155202965

IUPAC4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)nc1Nc1ccnc(C2(CF)CC2)c1
InChIInChI=1S/C26H30FN7O/c1-16(2)31-24(35)21-14-30-25(33-19-4-3-18-13-28-9-5-17(18)11-19)34-23(21)32-20-6-10-29-22(12-20)26(15-27)7-8-26/h3-4,6,10-12,14,16,28H,5,7-9,13,15H2,1-2H3,(H,31,35)(H2,29,30,32,33,34)
InChIKeyIYLDAHNUWCCHJK-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.14
Rot. Bonds8

About 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide

4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide (PubChem CID 155202965) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
PubChem CID155202965
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)nc1Nc1ccnc(C2(CF)CC2)c1
InChIInChI=1S/C26H30FN7O/c1-16(2)31-24(35)21-14-30-25(33-19-4-3-18-13-28-9-5-17(18)11-19)34-23(21)32-20-6-10-29-22(12-20)26(15-27)7-8-26/h3-4,6,10-12,14,16,28H,5,7-9,13,15H2,1-2H3,(H,31,35)(H2,29,30,32,33,34)
InChIKeyIYLDAHNUWCCHJK-UHFFFAOYSA-N
XLogP4.14
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

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CID 71721540
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CID 53312230
N-(3-ethylphenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54581547
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide (CID 155202965) is 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)nc1Nc1ccnc(C2(CF)CC2)c1.
What is the InChIKey of 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
The InChIKey is IYLDAHNUWCCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-16(2)31-24(35)21-14-30-25(33-19-4-3-18-13-28-9-5-17(18)11-19)34-23(21)32-20-6-10-29-22(12-20)26(15-27)7-8-26/h3-4,6,10-12,14,16,28H,5,7-9,13,15H2,1-2H3,(H,31,35)(H2,29,30,32,33,34).
What are the key properties of 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 155202965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).