N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine

C22H25N7O2 — CID 56960084

IUPACN-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine
SMILESCc1[nH]nc2cc(Nc3nc(N4CCC5(CC4)CNCCO5)c4occc4n3)ccc12
InChIInChI=1S/C22H25N7O2/c1-14-16-3-2-15(12-18(16)28-27-14)24-21-25-17-4-10-30-19(17)20(26-21)29-8-5-22(6-9-29)13-23-7-11-31-22/h2-4,10,12,23H,5-9,11,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyQDNRRLWVHYECFT-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.11
Rot. Bonds3

About N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine

N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine (PubChem CID 56960084) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine
PubChem CID56960084
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine
SMILESCc1[nH]nc2cc(Nc3nc(N4CCC5(CC4)CNCCO5)c4occc4n3)ccc12
InChIInChI=1S/C22H25N7O2/c1-14-16-3-2-15(12-18(16)28-27-14)24-21-25-17-4-10-30-19(17)20(26-21)29-8-5-22(6-9-29)13-23-7-11-31-22/h2-4,10,12,23H,5-9,11,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyQDNRRLWVHYECFT-UHFFFAOYSA-N
XLogP3.11
TPSA104.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
CID 66980526
4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 67130050
6-[[4-[4-(aminomethyl)-4-ethylpiperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 70143197
7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
CID 67129984
tert-butyl 9-[2-(3-methyl-4-morpholin-4-ylanilino)furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylate
CID 140580855
tert-butyl 8-[2-(3-chloro-4-morpholin-4-ylanilino)furo[3,2-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 140580849
tert-butyl N-[[1-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 140580838
9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960378
[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68753237
9-[2-[(1-methylindazol-5-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68749268
6-[[4-[4-(4-fluorobutyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 158807476
4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]furo[3,2-d]pyrimidin-2-amine
CID 68748790

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine (CID 56960084) is N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine is Cc1[nH]nc2cc(Nc3nc(N4CCC5(CC4)CNCCO5)c4occc4n3)ccc12.
What is the InChIKey of N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine?
The InChIKey is QDNRRLWVHYECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-16-3-2-15(12-18(16)28-27-14)24-21-25-17-4-10-30-19(17)20(26-21)29-8-5-22(6-9-29)13-23-7-11-31-22/h2-4,10,12,23H,5-9,11,13H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine?
N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine has a molecular weight of 419.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-indazol-6-yl)-4-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 56960084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).